4-Hydroxy-2-phenylbutanoic acid

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Basic information

CAS: 6837-26-9
Standard SMILES: O=C(O)C(CCO)c1ccccc1
InChIKey: IHHCLRGIMQKYPG-UHFFFAOYSA-N
Molecular formula: C10H12O3
Average molar mass: 180.2 g/mol
Monoisotopic mass: 180.07864424

Names & identifiers

Preferred name: 4-Hydroxy-2-phenylbutanoic acid
IUPAC: 4-hydroxy-2-phenylbutanoic acid

Names & synonyms

4-hydroxy-2-phenylbutanoic acid6837-26-9NSC176157BENZENEACETICACID, A-(2-HYDROXYETHYL)-SCHEMBL8193934-hydroxy-2-phenylbutanoicacidCHEMBL355431SCHEMBL11334281DTXSID80306416AKOS017530745NSC 176157NSC-176157

Show more names

DS-010085EN300-364417

Database identifiers

CAS: 6837-26-9
PubChem CID: 300804
DTXSID: DTXSID80306416
ChEMBL: CHEMBL355431

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 162

Related reactions

1 records

New reaction record

HRID 2131842As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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