2-Benzoyl-succinic acid diethyl ester
Basic information
- CAS
10539-50-1- Standard SMILES
CCOC(=O)CC(C(=O)OCC)C(=O)c1ccccc1- InChIKey
QNMQQXJHWZWNSI-UHFFFAOYSA-N- Molecular formula
- C15H18O5
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.11542368
Names & identifiers
- Preferred name
- 2-Benzoyl-succinic acid diethyl ester
- IUPAC
- diethyl 2-benzoylbutanedioate
Names & synonyms
10539-50-12-Benzoyl-succinic acid diethyl esterDTXSID70435027RefChem:256474DTXCID90385853Butanedioic acid, benzoyl-, diethyl esterDiethyl 2-benzoylbutanedioateSCHEMBL4666968QNMQQXJHWZWNSI-UHFFFAOYSA-N
Database identifiers
- CAS
10539-50-1- PubChem CID
- 10062089
- DTXSID
DTXSID70435027- Nikkaji
- J1.937.266I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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