Molecule ID: 54707516

IUPAC Name: propan-2-yl (Z)-3-hydroxybut-2-enoate

Description: The molecule is an isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol. It derives from a propan-2-ol and a 3-hydroxybut-2-enoic acid.

SMILES: C/C(O)=C/C(=O)OC(C)C

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

InChI: InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h4-5,8H,1-3H3/b6-4-

Molecular Properties:
- Polar Surface Area: 46.5 Ų
- LogP: 1.7