Acetic Acid
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CAS Number 64-19-7
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Catalog Number io-1657
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Classification Acids
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Molecular Weight 60.0500
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SMILES CC(=O)O
| Size | QTY | Notes | |
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Acetic acid is a simple monocarboxylic acid containing two carbons. It has a role as a protic solvent, a food acidity regulator, an antimicrobial food preservative and a Daphnia magna metabolite. It is a conjugate acid of an acetate.
| 1 | acetic acid |
| 2 | ethanoic acid |
| 3 | Acetic acid glacial |
| 4 | Ethylic acid |
| 5 | Vinegar acid |
| Molecular Formula | C2H4O2 |
|---|---|
| Canonical SMILES | CC(=O)O |
| Isomeric SMILES | CC(=O)O |
| Molecular Weight | 60.0500 |
| InChIKey | QTBSBXVTEAMEQO-UHFFFAOYSA-N |
| InChI | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) |
| XLogP | -0.2000 |
| ExactMass | 60.0211 |
| MonoisotopicMass | 60.0211 |
| TPSA | 37.3000 |
| Complexity | 31.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 4 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 288903 |
| PatentFamilyCount | 167925 |
| LiteratureCount | 198944 |
