Molecule ID: 6584

IUPAC Name: methyl acetate

Description: The molecule is an acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 ℃) colourless, flammable liquid, it is used as a solvent for many resins and oils. It has a role as a polar aprotic solvent, a fragrance and an EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor. It is an acetate ester, a methyl ester and a volatile organic compound.

SMILES: COC(C)=O

SELFIES: [C][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 0.2