4-formyl-2-methoxyphenyl cyclopropanecarboxylate

• ChemBase ID: 26138
• Molecular Formular: C12H12O4
• Molecular Mass: 220.22128
• Monoisotopic Mass: 220.07355886
• SMILES: C(=O)(C1CC1)Oc1c(cc(C=O)cc1)OC
• Canonical SMILES: COc1cc(C=O)ccc1OC(=O)C1CC1
• InChI: InChI=1S/C12H12O4/c1-15-11-6-8(7-13)2-5-10(11)16-12(14)9-3-4-9/h2,5-7,9H,3-4H2,1H3
• InChIKey: ZHAOJSWBZLZTFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-formyl-2-methoxyphenyl cyclopropanecarboxylate
• IUPAC Traditional name: 4-formyl-2-methoxyphenyl cyclopropanecarboxylate
• Synonyms: Cyclopropanecarboxylic acid 4-formyl-2-methyoxyphenyl ester; 4-Formyl-2-methoxyphenyl cyclopropanecarboxylate; 4-Formyl-2-methoxyphenyl cyclopropanecarboxylate; Cyclopropanecarboxylic acid 4-formyl-2-methoxy-phenyl ester; 4-甲酰基-2-甲氧基苯基环丙烷甲酸酯

Database IDs

• CAS Number: 380336-99-2
• MDL Number: MFCD01935794
• PubChem SID: 160989445
• PubChem CID: 735524

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9151341
• LogD (pH = 7.4): 1.9151341
• Log P: 1.9151341
• Molar Refractivity: 57.6368 cm^3
• Polarizability: 22.154789 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.234

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 95%