Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester
Basic information
- CAS
98185-64-9- Standard SMILES
CCOC(=O)C(C(=O)c1ccccc1)C(c1ccccc1)C(C(=O)OCC)C(=O)c1ccccc1- InChIKey
ZMQWOXIEFLOFPW-UHFFFAOYSA-N- Molecular formula
- C29H28O6
- Average molar mass
- 472.5 g/mol
- Monoisotopic mass
- 472.18858861
Names & identifiers
- Preferred name
- Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl ester
- IUPAC
- diethyl 2,4-dibenzoyl-3-phenylpentanedioate
Names & synonyms
Pentanedioic acid, 2,4-dibenzoyl-3-phenyl-, diethyl esterNSC14966098185-64-9diethyl 2,4-dibenzoyl-3-phenylpentanedioateDTXSID30302206NSC-149660
Database identifiers
- CAS
98185-64-9- PubChem CID
- 288455
- DTXSID
DTXSID30302206
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 661
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Compound notes
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