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Acetic anhydride
- Family: Plantae - Cannabaceae
- Kingdom: Plantae
- Class: Fatty Acid
| Canonical Smiles | CC(=O)OC(=O)C |
|---|---|
| InChI | InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3 |
| InChIKey | WFDIJRYMOXRFFG-UHFFFAOYSA-N |
| Formula | C4H6O3 |
| HBA | 3 |
| HBD | 0 |
| MW | 102.09 |
| Rotatable Bonds | 0 |
| TPSA | 43.37 |
| LogP | 0.1 |
| Number Rings | 0 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.5 |
| Exact Mass | 102.03 |
| Number of Lipinski Rule Violations | 0 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Celtis africana | Cannabaceae | Plantae | 266494 |
Showing of synonyms
Acetic anhydride
Acetyl acetate
108-24-7
Acetanhydride
Ethanoic anhydride
Acetyl anhydride
Acetic acid, anhydride
Acetyl oxide
Acetic acid anhydride
Acetic oxide
Acetyl ether
Anhydride acetique
Anidride acetica
Octowy bezwodnik
Azijnzuuranhydride
Essigsaeureanhydrid
Ethanoic anhydrate
Anhydrid kyseliny octove
Ac2O
(CH3CO)2O
Caswell No. 003A
HSDB 233
CCRIS 688
EINECS 203-564-8
UNII-2E48G1QI9Q
EPA Pesticide Chemical Code 044007
BRN 0385737
2E48G1QI9Q
DTXSID0024395
CHEBI:36610
(MeCO)2O
DTXCID704395
EC 203-564-8
4-02-00-00386 (Beilstein Handbook Reference)
ACETIC ANHYDRIDE (II)
ACETIC ANHYDRIDE [II]
Pesticide Code: 044007
203-564-8
Acetic anhydride (acgih:osha)
Ethanoyl ethanoate
Acetic acid, 1,1'-anhydride
Acetic anhydride-1,1'-13C2,d6
285977-77-7
MFCD00008705
285977-78-8
Acetic anhydride-1,1-13C2
Octowy bezwodnik [Polish]
Azijnzuuranhydride [Dutch]
Anidride acetica [Italian]
Anhydride acetique [French]
Essigsaeureanhydrid [German]
Anhydrid kyseliny octove [Czech]
UN1715
ACETIC ANHYDRIDE (1,1'-13C2, 99%)
Acetanhydrid
Aceticanhydride
Acetic anhydrid
Actic anhydride
Diacetyl oxide
Acetic-anhydride
Acetic, anhydride
AcOAc
Acetyltrimethyl-Silane
Acetic acetic anhydride
Acetic anhydride [UN1715] [Corrosive]
Acetic acid acetyl ester
SCHEMBL523
Acetic anhydride ACS grade
Acetic acid-acetic anhydride
(Ac)2O
Acetic anhydride, >=99%
Acetic anhydride, 99.5%
MLS002454384
ACETIC ANHYDRIDE [MI]
Acetic anhydride, ACS, 97%
ACETIC ANHYDRIDE [HSDB]
CHEMBL1305819
HMS3039J03
BCP20665
QDA98078
RAA64949
Acetic anhydride, JIS special grade
ACETIC ANHYDRIDE-13C4, D6
Tox21_200278
STL264203
AKOS015915487
UN 1715
NCGC00091802-01
NCGC00091802-02
NCGC00257832-01
ACETIC ANHYDRIDE (1,1'-13C2)
Acetic anhydride, reagent grade, >=98%
BP-24367
BP-31054
CAS-108-24-7
SMR001372001
Acetic anhydride [UN1715] [Corrosive]
Acetic anhydride, ACS reagent, >=98.0%
Acetic anhydride, ReagentPlus(R), >=99%
A1668
A2036
NS00004253
Acetic anhydride, p.a., ACS reagent, 97.0%
Acetic anhydride, SAJ first grade, >=93.0%
A801828
Acetic anhydride, Lonza quality, >=99.5% (GC)
Q407775
Acetic anhydride, for GC derivatization, >=99.0%
ACETIC ANHYDRIDE (13C4, 99%
D6, 98%)
InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H
Acetic anhydride, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.0%
Acetic anhydride, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99% (GC)
Capping B1 (40 % acetic anhydride in acetonitrile, for AKTA oligopilottrade mark) NC-0806, GL45 thread emp Biotech GmbH
- Kudzanai IT, Evonia KN, et al. (2020). Antibacterial activity and gas chromatography mass spectrometry (GC–MS)-based metabolite profiles of Celtis africana and its endophytic extracts. Industrial Crops and Products, 2020,157, 112933. [View]
Pubchem:
7918
Cas:
108-24-7
Zinc:
ZINC000008585917
Chebi:
36610
Nmrshiftdb2:
10016742
Metabolights:
MTBLC36610
Chembl:
CHEMBL1305819
Comptox:
DTXSID0024395
CPRiL:
5293
No scaffolds available.
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.31
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Absorbed
- Madin-Darby Canine Kidney
- -3.53
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -3.0
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Penetrable
- Fraction Unbound (Human)
- 0.15
- Plasma Protein Binding
- -7.3
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Non-Inhibitor
- CYP 1A2 Inhibitor
- Inhibitor
- CYP 1A2 Substrate
- Non-Substrate
- CYP 2C19 Inhibitor
- Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 7.17
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Safe
- Bee
- Safe
- Bioconcentration Factor
- 0.07
- Biodegradation
- Toxic
- Carcinogenesis
- Safe
- Crustacean
- Safe
- Liver Injury I (DILI)
- Safe
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 1.29
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 2.9
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Safe
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- 1.32
- Rat (Acute)
- 1.61
- Rat (Chronic Oral)
- 1.78
- Fathead Minnow
- 3.38
- Respiratory Disease
- Safe
- Skin Sensitisation
- Toxic
- SR-ARE
- Safe
- SR-ATAD5
- Safe
- SR-HSE
- Safe
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 119.76
- Hydration Free Energy
- -3.79
- Log(D) at pH=7.4
- 0.08
- Log(P)
- -0.03
- Log S
- 0.22
- Log(Vapor Pressure)
- 0.92
- Melting Point
- -52.71
- pKa Acid
- 8.38
- pKa Basic
- 2.73
No predicted protein targets found for this compound.