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27115-49-7 | 2-(3-Methylbenzamido);acetic acid
CAS No: 27115-49-7 Catalog No: AG003JRH MDL No:MFCD00044399
Product Description
Catalog Number:
AG003JRH
Chemical Name:
2-(3-Methylbenzamido);acetic acid
CAS Number:
27115-49-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00044399
IUPAC Name:
2-[(3-methylbenzoyl)amino]acetic acid
InChI:
InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChI Key:
YKAKNMHEIJUKEX-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)c1cccc(c1)C
UNII:
W60W59C1G5
NSC Number:
201735
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Reconstruction of Exposure to m-Xylene from Human Biomonitoring Data Using PBPK Modelling, Bayesian Inference, and Markov Chain Monte Carlo Simulation. | Journal of toxicology 20120101 |
| A Workflow for Global Sensitivity Analysis of PBPK Models. | Frontiers in pharmacology 20110101 |
| Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM). | Bioorganic & medicinal chemistry 20081201 |
| Sex differences in the toxicokinetics of inhaled solvent vaporsin humans 1. m-Xylene. | Toxicology and applied pharmacology 20031201 |
| Event-related potentials in medical workers with long-term exposure to xylene. | Collegium antropologicum 20010601 |
| Modified method for determination of hippuric acid and methylhippuric acid in urine by gas chromatography. | Journal of chromatography. B, Biomedical sciences and applications 20010210 |
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