10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxylic acid

• ChemBase ID: 310637
• Molecular Formular: C11H14Cl2O2
• Molecular Mass: 249.13366
• Monoisotopic Mass: 248.03708505
• SMILES: C1(C2C1CCC1C(C1C(=O)O)CC2)(Cl)Cl
• Canonical SMILES: OC(=O)C1C2C1CCC1C(CC2)C1(Cl)Cl
• InChI: InChI=1S/C11H14Cl2O2/c12-11(13)7-3-1-5-6(2-4-8(7)11)9(5)10(14)15/h5-9H,1-4H2,(H,14,15)
• InChIKey: KTMXBVDXHDBMDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10,10-dichlorotricyclo[7.1.0.0^4,^6]decane-5-carboxylic acid
• IUPAC Traditional name: 10,10-dichlorotricyclo[7.1.0.0^4,^6]decane-5-carboxylic acid
• Synonyms: 10,10-dichlorotricyclo[7.1.0.0~4,6~]decane-5-carboxylic acid

Database IDs

• CAS Number: 1022462-94-7
• MDL Number: MFCD00448783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5328002
• LogD (pH = 7.4): -0.18263938
• Log P: 2.8491006
• Molar Refractivity: 58.6043 cm^3
• Polarizability: 23.098942 Å^3
• Polar Surface Area: 37.3 Å^2