indolizine-3-carbaldehyde

• ChemBase ID: 802335
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: c1ccn2c(ccc2c1)C=O
• Canonical SMILES: O=Cc1ccc2n1cccc2
• InChI: InChI=1S/C9H7NO/c11-7-9-5-4-8-3-1-2-6-10(8)9/h1-7H
• InChIKey: VECXNXBOZXLDBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: indolizine-3-carbaldehyde
• IUPAC Traditional name: indolizine-3-carbaldehyde
• Synonyms: 3-INDOLIZINECARBOXALDEHYDE

Database IDs

• CAS Number: 56671-63-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2422633
• LogD (pH = 7.4): 1.2422633
• Log P: 1.2422633
• Molar Refractivity: 44.6022 cm^3
• Polarizability: 16.764542 Å^3
• Polar Surface Area: 21.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%