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Chemical structure of p-Toluic acid

GC39427

p-Toluic acid

Also known as 4-methylbenzoic acid

p-Toluic acid (4-Methylbenzoic acid) is a substituted?benzoic acid?and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc

ChemicalCAS99-94-5MW136.15FormulaC8H8O2
CAS number
99-94-5
Molecular weight
136.15
Formula
C8H8O2
Solubility
DMSO ： 100 mg/mL (734·48 mM; Need ultrasonic)
InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-N
Catalogue number
GC39427
Brand
GLPBIO
Computed properties PubChem CID 7470 · XLogP 2.3 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.3
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

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

Computed descriptors from PubChem (CID 7470), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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