indolizine-2-carbaldehyde

• ChemBase ID: 802334
• Molecular Formular: C9H7NO
• Molecular Mass: 145.15798
• Monoisotopic Mass: 145.05276385
• SMILES: c1ccn2cc(cc2c1)C=O
• Canonical SMILES: O=Cc1cc2n(c1)cccc2
• InChI: InChI=1S/C9H7NO/c11-7-8-5-9-3-1-2-4-10(9)6-8/h1-7H
• InChIKey: GZAJGIDURHUVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: indolizine-2-carbaldehyde
• IUPAC Traditional name: indolizine-2-carbaldehyde
• Synonyms: INDOLIZINE-2-CARBALDEHYDE

Database IDs

• CAS Number: 944895-49-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3222622
• LogD (pH = 7.4): 1.3222622
• Log P: 1.3222622
• Molar Refractivity: 44.7247 cm^3
• Polarizability: 16.763462 Å^3
• Polar Surface Area: 21.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%