1-phenylcyclopropane-1-carbaldehyde

• ChemBase ID: 799496
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: C1(CC1)(C=O)c1ccccc1
• Canonical SMILES: O=CC1(CC1)c1ccccc1
• InChI: InChI=1S/C10H10O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2
• InChIKey: SMYKJEFTTNCUSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclopropane-1-carbaldehyde
• IUPAC Traditional name: 1-phenylcyclopropane-1-carbaldehyde
• Synonyms: 1-phenylcyclopropanecarbaldehyde

Database IDs

• CAS Number: 21744-88-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0876524
• LogD (pH = 7.4): 2.0876524
• Log P: 2.0876524
• Molar Refractivity: 43.7135 cm^3
• Polarizability: 17.045313 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%