6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid

• ChemBase ID: 308856
• Molecular Formular: C11H12O3
• Molecular Mass: 192.21118
• Monoisotopic Mass: 192.07864424
• SMILES: c1(cc2c(cc1OC)CCC2)C(=O)O
• Canonical SMILES: COc1cc2CCCc2cc1C(=O)O
• InChI: InChI=1S/C11H12O3/c1-14-10-6-8-4-2-3-7(8)5-9(10)11(12)13/h5-6H,2-4H2,1H3,(H,12,13)
• InChIKey: FRPCMRDYGSQTHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid
• IUPAC Traditional name: 6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid
• Synonyms: 6-methoxy-5-indanecarboxylic acid

Database IDs

• CAS Number: 77366-70-2
• MDL Number: MFCD11054025

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.87268114
• LogD (pH = 7.4): -0.73406845
• Log P: 2.480843
• Molar Refractivity: 52.6586 cm^3
• Polarizability: 19.826914 Å^3
• Polar Surface Area: 46.53 Å^2