Propanedioic acid, (2-oxo-2-phenylethylidene)-, dimethyl ester
Basic information
- CAS
64677-34-5- Standard SMILES
COC(=O)C(=CC(=O)c1ccccc1)C(=O)OC- InChIKey
ZVKCSFYFUNORQQ-UHFFFAOYSA-N- Molecular formula
- C13H12O5
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.06847348
Names & identifiers
- Preferred name
- Propanedioic acid, (2-oxo-2-phenylethylidene)-, dimethyl ester
- IUPAC
- dimethyl 2-phenacylidenepropanedioate
Names & synonyms
64677-34-5DTXSID00434967Propanedioic acid, (2-oxo-2-phenylethylidene)-, dimethyl esterRefChem:374434DTXCID50385793SCHEMBL28546110Dimethyl (2-oxo-2-phenylethylidene)propanedioate
Database identifiers
- CAS
64677-34-5- PubChem CID
- 10060554
- DTXSID
DTXSID00434967- Nikkaji
- J659.574J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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