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Chemical structure of 3,4-Dimethylbenzoic acid

GC60494

3,4-Dimethylbenzoic acid

Also known as 3,4-dimethylbenzoic acid

3,4-Dimethylbenzoic acid acts as a product of dimethylbenzoate metabolism by Rhodococcus rhodochrous N75

ChemicalCAS619-04-5MW150.18FormulaC9H10O2
CAS number
619-04-5
Molecular weight
150.18
Formula
C9H10O2
Solubility
DMSO ： 100 mg/mL (665·87 mM; Need ultrasonic)
InChIKey
OPVAJFQBSDUNQA-UHFFFAOYSA-N
Catalogue number
GC60494
Brand
GLPBIO
Computed properties PubChem CID 12073 · XLogP 2.7 · TPSA 37.3 Ų · H-bond donors 1
XLogP
2.7
TPSA
37.3 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

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

Computed descriptors from PubChem (CID 12073), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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