Methyl 3-cyclopropyl-3-oxo-2-phenylpropanoate
Basic information
- Standard SMILES
COC(=O)C(C(=O)C1CC1)c1ccccc1- InChIKey
IKEPNVAJOHDSLU-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- Methyl 3-cyclopropyl-3-oxo-2-phenylpropanoate
- IUPAC
- methyl 3-cyclopropyl-3-oxo-2-phenylpropanoate
Names & synonyms
SCHEMBL8004702IKEPNVAJOHDSLU-UHFFFAOYSA-Nmethyl 3-cyclopropyl-3-oxo-2-phenylpropanoate
Database identifiers
- PubChem CID
- 19354569
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
1 records
Compound notes
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