Basic information
- CAS
261783-91-9- Standard SMILES
COC(=O)c1cccc(C(=O)c2ccc(C#N)cc2)c1- InChIKey
PHQAHOJCXSTDKX-UHFFFAOYSA-N- Molecular formula
- C16H11NO3
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.07389321
Names & identifiers
- Preferred name
- Methyl 3-(4-cyanobenzoyl)benzoate
- IUPAC
- methyl 3-(4-cyanobenzoyl)benzoate
Names & synonyms
Methyl 3-(4-cyanobenzoyl)benzoateDTXSID101299530261783-91-9
Database identifiers
- CAS
261783-91-9- PubChem CID
- 10683097
- DTXSID
DTXSID101299530- Nikkaji
- J1.278.822C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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