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Chemical structure of 3-Phenylbutyric acid

GC62798

3-Phenylbutyric acid

Also known as 3-phenylbutanoic acid

3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain

ChemicalCAS4593-90-2MW164.2FormulaC10H12O2
CAS number
4593-90-2
Molecular weight
164.2
Formula
C10H12O2
InChIKey
ZZEWMYILWXCRHZ-UHFFFAOYSA-N
Catalogue number
GC62798
Brand
GLPBIO
Computed properties PubChem CID 20724 · XLogP 2.2 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.2
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

SMILES CC(CC(=O)O)C1=CC=CC=C1

Computed descriptors from PubChem (CID 20724), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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