2,3-dihydro-1H-inden-2-yl acetate

• ChemBase ID: 814626
• Molecular Formular: C11H12O2
• Molecular Mass: 176.21178
• Monoisotopic Mass: 176.08372962
• SMILES: O(C(=O)C)C1Cc2ccccc2C1
• Canonical SMILES: CC(=O)OC1Cc2c(C1)cccc2
• InChI: InChI=1S/C11H12O2/c1-8(12)13-11-6-9-4-2-3-5-10(9)7-11/h2-5,11H,6-7H2,1H3
• InChIKey: QIOFUOQHSJNCIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-2-yl acetate
• IUPAC Traditional name: 2,3-dihydro-1H-inden-2-yl acetate
• Synonyms: 2,3-dihydro-1H-inden-2-yl acetate

Database IDs

• CAS Number: 4254-31-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0353382
• LogD (pH = 7.4): 2.0353382
• Log P: 2.0353382
• Molar Refractivity: 49.7602 cm^3
• Polarizability: 19.565271 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%