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Chemical structure of m-Tolylacetic acid

GC61099

m-Tolylacetic acid

Also known as 2-(3-methylphenyl)acetic acid

m-Tolylacetic acid (3-Methylbenzeneacetic acid) is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid

ChemicalCAS621-36-3MW150.17FormulaC9H10O2
CAS number
621-36-3
Molecular weight
150.17
Formula
C9H10O2
Solubility
Water: < 0·1 mg/mL (insoluble)
InChIKey
GJMPSRSMBJLKKB-UHFFFAOYSA-N
Catalogue number
GC61099
Brand
GLPBIO
Computed properties PubChem CID 12121 · XLogP 1.9 · TPSA 37.3 Ų · H-bond donors 1
XLogP
1.9
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

SMILES CC1=CC(=CC=C1)CC(=O)O

Computed descriptors from PubChem (CID 12121), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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