2,3-dihydro-1H-inden-4-ol

• ChemBase ID: 69075
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: C1CCc2c(cccc12)O
• Canonical SMILES: Oc1cccc2c1CCC2
• InChI: InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2
• InChIKey: DPHNJPUOMLRELT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-4-ol
• IUPAC Traditional name: 2,3-dihydro-1H-inden-4-ol
• Synonyms: 1H-Inden-4-ol, 2,3-dihydro-; 4-Indanol

Database IDs

• CAS Number: 1641-41-4
• MDL Number: MFCD00053431
• PubChem SID: 162034804
• PubChem CID: 74233

CALCULATED PROPERTIES

• Acid pKa: 10.377511
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6773603
• LogD (pH = 7.4): 2.6769114
• Log P: 2.677366
• Molar Refractivity: 40.9201 cm^3
• Polarizability: 15.578412 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%