(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid

• ChemBase ID: 310638
• Molecular Formular: C14H20O2
• Molecular Mass: 220.3074
• Monoisotopic Mass: 220.14632988
• SMILES: C12C(C1C(=O)O)CC/C=C/CC/C=C\CC2
• Canonical SMILES: OC(=O)C1C2C1CC/C=C/CC/C=C\CC2
• InChI: InChI=1S/C14H20O2/c15-14(16)13-11-9-7-5-3-1-2-4-6-8-10-12(11)13/h3-6,11-13H,1-2,7-10H2,(H,15,16)/b5-3-,6-4+
• InChIKey: IOZRVTUKBUOZNP-CIIODKQPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
• IUPAC Traditional name: (4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
• Synonyms: bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid

Database IDs

• CAS Number: 329912-79-0
• MDL Number: MFCD00448816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7903147
• LogD (pH = 7.4): 1.0228682
• Log P: 3.4994688
• Molar Refractivity: 66.3791 cm^3
• Polarizability: 25.08382 Å^3
• Polar Surface Area: 37.3 Å^2