Ethanol
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CAS Number 64-17-5
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Catalog Number io-5661
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Classification Acids
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Molecular Weight 46.0700
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SMILES CCO
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Ethanol is a primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. It has a role as an antiseptic drug, a polar solvent, a neurotoxin, a central nervous system depressant, a teratogenic agent, a NMDA receptor antagonist, a protein kinase C agonist, a disinfectant, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a primary alcohol, an alkyl alcohol, a volatile organic compound and a member of ethanols. It is a conjugate acid of an ethoxide.
1 | ethanol |
2 | ethyl alcohol |
3 | alcohol |
4 | grain alcohol |
5 | Methylcarbinol |
Molecular Formula | C2H6O |
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Canonical SMILES | CCO |
Isomeric SMILES | CCO |
Molecular Weight | 46.0700 |
InChIKey | LFQSCWFLJHTTHZ-UHFFFAOYSA-N |
InChI | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 |
XLogP | -0.1000 |
ExactMass | 46.0419 |
MonoisotopicMass | 46.0419 |
TPSA | 20.2000 |
Complexity | 2.0000 |
Charge | 0.0000 |
HBondDonorCount | 1 |
HBondAcceptorCount | 1 |
RotatableBondCount | 0 |
HeavyAtomCount | 3 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 1198010 |
PatentFamilyCount | 721748 |
LiteratureCount | 540971 |