2,3-dihydro-1H-indene-1-carbaldehyde

• ChemBase ID: 272243
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: c12c(CCC1C=O)cccc2
• Canonical SMILES: O=CC1CCc2c1cccc2
• InChI: InChI=1S/C10H10O/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6H2
• InChIKey: CMKDJMDGRSJZIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indene-1-carbaldehyde
• IUPAC Traditional name: indanal
• Synonyms: 2,3-dihydro-1H-indene-1-carbaldehyde

Database IDs

• MDL Number: MFCD07778335
• PubChem SID: 164328153
• PubChem CID: 11116198

CALCULATED PROPERTIES

• Acid pKa: 15.362453
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0450597
• LogD (pH = 7.4): 2.0450597
• Log P: 2.0450597
• Molar Refractivity: 44.2537 cm^3
• Polarizability: 17.042965 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.198

Product Information

• Purity: 95%