Basic information
- CAS
1393566-67-0- Standard SMILES
COC(=O)C1(c2cccc(C(=O)c3ccccc3)c2)CC1- InChIKey
BTFNAGWPYZRGDQ-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- Methyl 1-(3-benzoylphenyl)cyclopropane-1-carboxylate
- IUPAC
- methyl 1-(3-benzoylphenyl)cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL15558446DTXSID501174786methyl 1-(3-benzoylphenyl)cyclopropane-1-carboxylateCyclopropanecarboxylic acid, 1-(3-benzoylphenyl)-, methyl ester1393566-67-0
Database identifiers
- CAS
1393566-67-0- PubChem CID
- 90032142
- DTXSID
DTXSID501174786
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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