Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
Basic information
- CAS
7404-85-5- Standard SMILES
COC(=O)C(C#N)(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1- InChIKey
IHHWCIFPTKGKEP-UHFFFAOYSA-N- Molecular formula
- C22H21NO4
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.14705815
Names & identifiers
- Preferred name
- Methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
- IUPAC
- methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoate
Names & synonyms
MLS0031715317404-85-5NSC403135methyl 2-cyano-5-oxo-2-(3-oxo-3-phenylpropyl)-5-phenylpentanoateDTXSID00323140NSC-403135SMR001875414
Database identifiers
- CAS
7404-85-5- PubChem CID
- 345494
- DTXSID
DTXSID00323140
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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