Diethyl 3-phenylpentanedioate
Basic information
- CAS
55951-74-1- Standard SMILES
CCOC(=O)CC(CC(=O)OCC)c1ccccc1- InChIKey
GSDRMAHJAKQAOZ-UHFFFAOYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Names & identifiers
- Preferred name
- Diethyl 3-phenylpentanedioate
- IUPAC
- diethyl 3-phenylpentanedioate
- English name
- Pentanedioic acid, 3-phenyl-, diethyl ester
- Molecular formula
- C15H20O4
- Molecular weight
- 264.32
Names & synonyms
diethyl 3-phenylpentanedioate55951-74-1NSC43720SCHEMBL232194DTXSID20286081GSDRMAHJAKQAOZ-UHFFFAOYSA-NNSC-43720DA-34858Pentanedioic acid, 3-phenyl-, diethyl esterPentanedioic acid, 3-phenyl-, 1,5-diethyl ester
Database identifiers
- CAS
55951-74-1- PubChem CID
- 239011
- DTXSID
DTXSID20286081- Nikkaji
- J3.046.791D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 262
Chemistry & industry
Upstream & downstream products
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Compound notes
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