Ethanol
  • CAS Number 64-17-5
  • Catalog Number io-5661
  • Classification Acids
  • Molecular Weight 46.0700
  • 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
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