(3R)-3-(Methoxycarbonyl)-6-phenylhexanoic acid

HCID 67881908

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Basic information

CAS: 156109-61-4
Standard SMILES: COC(=O)[C@H](CCCc1ccccc1)CC(=O)O
InChIKey: VRFYUSUKERQZCC-GFCCVEGCSA-N
Molecular formula: C14H18O4
Average molar mass: 250.29 g/mol
Monoisotopic mass: 250.12050905

Names & identifiers

Preferred name: (3R)-3-(Methoxycarbonyl)-6-phenylhexanoic acid
IUPAC: (3R)-3-methoxycarbonyl-6-phenylhexanoic acid

Names & synonyms

156109-61-4SCHEMBL9574068DTXSID7012592031-Methyl (2R)-2-(3-phenylpropyl)butanedioate(3R)-3-(Methoxycarbonyl)-6-phenylhexanoic acid(s)-2-(phenylpropyl) succinic acid-1-methyl ester220497-80-3

Database identifiers

CAS: 156109-61-4
PubChem CID: 67881908
DTXSID: DTXSID701259203

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 269

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