4-formylphenyl cyclopropanecarboxylate

• ChemBase ID: 26127
• Molecular Formular: C11H10O3
• Molecular Mass: 190.1953
• Monoisotopic Mass: 190.06299418
• SMILES: C(=O)(C1CC1)Oc1ccc(C=O)cc1
• Canonical SMILES: O=Cc1ccc(cc1)OC(=O)C1CC1
• InChI: InChI=1S/C11H10O3/c12-7-8-1-5-10(6-2-8)14-11(13)9-3-4-9/h1-2,5-7,9H,3-4H2
• InChIKey: FOPSRGQJZYJXAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-formylphenyl cyclopropanecarboxylate
• IUPAC Traditional name: 4-formylphenyl cyclopropanecarboxylate
• Synonyms: 4-Formylphenyl cyclopropanecarboxylate

Database IDs

• MDL Number: MFCD03422482
• PubChem SID: 160989434
• PubChem CID: 4513400

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0728054
• LogD (pH = 7.4): 2.0728054
• Log P: 2.0728054
• Molar Refractivity: 51.1736 cm^3
• Polarizability: 19.61307 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false