2-(cyclopent-1-en-1-yl)acetic acid

• ChemBase ID: 309545
• Molecular Formular: C7H10O2
• Molecular Mass: 126.1531
• Monoisotopic Mass: 126.06807956
• SMILES: C(=O)(CC1=CCCC1)O
• Canonical SMILES: OC(=O)CC1=CCCC1
• InChI: InChI=1S/C7H10O2/c8-7(9)5-6-3-1-2-4-6/h3H,1-2,4-5H2,(H,8,9)
• InChIKey: QOGMZIQMZUXOKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopent-1-en-1-yl)acetic acid
• IUPAC Traditional name: cyclopent-1-en-1-ylacetic acid
• Synonyms: 1-cyclopenten-1-ylacetic acid

Database IDs

• CAS Number: 21622-08-2
• MDL Number: MFCD00019304

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.37749177
• LogD (pH = 7.4): -1.4001564
• Log P: 1.2286098
• Molar Refractivity: 34.67 cm^3
• Polarizability: 13.175363 Å^3
• Polar Surface Area: 37.3 Å^2