(1R,2R)-2,3-dihydro-1H-indene-1,2-diol

• ChemBase ID: 101687
• Molecular Formular: C9H10O2
• Molecular Mass: 150.1745
• Monoisotopic Mass: 150.06807956
• SMILES: c12[C@H]([C@@H](Cc1cccc2)O)O
• Canonical SMILES: O[C@H]1[C@H](O)Cc2c1cccc2
• InChI: InChI=1S/C9H10O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-11H,5H2/t8-,9-/m1/s1
• InChIKey: YKXXBEOXRPZVCC-RKDXNWHRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2,3-dihydro-1H-indene-1,2-diol
• IUPAC Traditional name: (1R,2R)-2,3-dihydro-1H-indene-1,2-diol
• Synonyms: (1R,2R)-indan-1,2-diol

Database IDs

• CAS Number: 67528-23-8
• MDL Number: MFCD12198131
• PubChem SID: 162087984
• PubChem CID: 247603

CALCULATED PROPERTIES

• Acid pKa: 13.349704
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6752167
• LogD (pH = 7.4): 0.6752162
• Log P: 0.6752167
• Molar Refractivity: 41.8162 cm^3
• Polarizability: 16.275534 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%