2-cyclopropylbenzaldehyde

• ChemBase ID: 61482
• Molecular Formular: C10H10O
• Molecular Mass: 146.1858
• Monoisotopic Mass: 146.07316494
• SMILES: C1(CC1)c1c(C=O)cccc1
• Canonical SMILES: O=Cc1ccccc1C1CC1
• InChI: InChI=1S/C10H10O/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,7-8H,5-6H2
• InChIKey: ZVDXHSUCDWVQEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylbenzaldehyde
• IUPAC Traditional name: 2-cyclopropylbenzaldehyde
• Synonyms: 2-Cyclopropyl-benzaldehyde; 2-cyclopropylbenzaldehyde

Database IDs

• MDL Number: MFCD00480888
• PubChem SID: 162027223
• PubChem CID: 15473324

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4670315
• LogD (pH = 7.4): 2.4670315
• Log P: 2.4670315
• Molar Refractivity: 45.0306 cm^3
• Polarizability: 16.947298 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.438

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%