Ethyl(4-phenylbutyl)propanedioic acid

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Basic information

CAS: 5449-70-7
Standard SMILES: CCC(CCCCc1ccccc1)(C(=O)O)C(=O)O
InChIKey: OWOXROSOVXRMRV-UHFFFAOYSA-N
Molecular formula: C15H20O4
Average molar mass: 264.32 g/mol
Monoisotopic mass: 264.13615911

Names & identifiers

Preferred name: Ethyl(4-phenylbutyl)propanedioic acid
IUPAC: 2-ethyl-2-(4-phenylbutyl)propanedioic acid

Names & synonyms

5449-70-7ethyl(4-phenylbutyl)propanedioic acid2-ethyl-2-(4-phenylbutyl)propanedioic acidNSC16418SCHEMBL9614706DTXSID10280331NSC 16418NSC-16418DS-013224

Database identifiers

CAS: 5449-70-7
PubChem CID: 226206
DTXSID: DTXSID10280331

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 291

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Compound notes

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