2,3-dihydro-1H-indene-5-carbaldehyde

• ChemBase ID: 285021
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: c12c(ccc(c1)C=O)CCC2
• Canonical SMILES: O=Cc1ccc2c(c1)CCC2
• InChI: InChI=1S/C10H10O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-7H,1-3H2
• InChIKey: YNGGRNROMJXLCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indene-5-carbaldehyde
• IUPAC Traditional name: 2,3-dihydro-1H-indene-5-carbaldehyde
• Synonyms: 2,3-dihydro-1H-indene-5-carbaldehyde

Database IDs

• MDL Number: MFCD00086208
• PubChem SID: 180670552
• PubChem CID: 121624

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6934338
• LogD (pH = 7.4): 2.6934338
• Log P: 2.6934338
• Molar Refractivity: 45.5232 cm^3
• Polarizability: 16.86719 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.508

Product Information

• Purity: 95%