methyl 3-cyclopropylprop-2-enoate

• ChemBase ID: 248711
• Molecular Formular: C7H10O2
• Molecular Mass: 126.1531
• Monoisotopic Mass: 126.06807956
• SMILES: C1(/C=C/C(=O)OC)CC1
• Canonical SMILES: COC(=O)/C=C/C1CC1
• InChI: InChI=1S/C7H10O2/c1-9-7(8)5-4-6-2-3-6/h4-6H,2-3H2,1H3
• InChIKey: IPOOZKZLEDMDSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-cyclopropylprop-2-enoate
• IUPAC Traditional name: methyl 3-cyclopropylprop-2-enoate
• Synonyms: methyl 3-cyclopropylprop-2-enoate

Database IDs

• MDL Number: MFCD18382477
• PubChem SID: 164304621
• PubChem CID: 14585551

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5666715
• LogD (pH = 7.4): 1.5666715
• Log P: 1.5666715
• Molar Refractivity: 35.0814 cm^3
• Polarizability: 13.423014 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.77

Product Information

• Purity: 95%