CAS 115363-11-6 | [1,1'-Biphenyl]-3-carboxylic acid, 2-methyl- | CAS Number 115363-11-6

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115363-11-6 | [1,1'-Biphenyl]-3-carboxylic acid, 2-methyl-

CAS No: 115363-11-6 Catalog No: AG000GNA MDL No:MFCD11554177

Product Description

Catalog Number:

AG000GNA

Chemical Name:

[1,1'-Biphenyl]-3-carboxylic acid, 2-methyl-

CAS Number:

115363-11-6

Molecular Formula:

C14H12O2

Molecular Weight:

212.2439

MDL Number:

MFCD11554177

IUPAC Name:

2-methyl-3-phenylbenzoic acid

InChI:

InChI=1S/C14H12O2/c1-10-12(11-6-3-2-4-7-11)8-5-9-13(10)14(15)16/h2-9H,1H3,(H,15,16)

InChI Key:

HOAIMLUVGBVVFZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1C)c1ccccc1

Properties

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.248g/mol

Monoisotopic Mass:

212.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Environmental exposure to organophosphorus and pyrethroid pesticides in South Australian preschool children: a cross sectional study.	Environment international 20121101
Review of pesticide urinary biomarker measurements from selected US EPA children's observational exposure studies.	International journal of environmental research and public health 20110501
Estimating occupational exposure to the pyrethroid termiticide bifenthrin by measuring metabolites in urine.	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20021005