CAS 619-04-5 | 3,4-Dimethylbenzoic acid | CAS Number 619-04-5

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619-04-5 | 3,4-Dimethylbenzoic acid

CAS No: 619-04-5 Catalog No: AG0033IS MDL No:MFCD00002524

Product Description

Catalog Number:

AG0033IS

Chemical Name:

3,4-Dimethylbenzoic acid

CAS Number:

619-04-5

Molecular Formula:

C9H10O2

Molecular Weight:

150.1745

MDL Number:

MFCD00002524

IUPAC Name:

3,4-dimethylbenzoic acid

InChI:

InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)

InChI Key:

OPVAJFQBSDUNQA-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(c(c1)C)C

EC Number:

210-576-7

UNII:

Z2TCZ088AV

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

150.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

150.177g/mol

Monoisotopic Mass:

150.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Small-angle neutron scattering study of shearing effects on drag-reducing surfactant solutions.	Journal of colloid and interface science 20090901
Use of the two-liquid phase concept to exploit kinetically controlled multistep biocatalysis.	Biotechnology and bioengineering 20030320
An improved synthesis of 5,6-dimethylxanthenone-4-acetic acid (DMXAA).	European journal of medicinal chemistry 20021001
Toxicokinetics and metabolism of pseudocumene (1,2,4-trimethylbenzene) after inhalation exposure in rats.	International journal of occupational medicine and environmental health 20020101