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2-Methylhippuric Acid
[CAS# 42013-20-7]

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Identification
Classification Chemical reagent >> Organic reagent >> Fatty acid
Name 2-Methylhippuric Acid
Synonyms 2-[[(2-Methylphenyl)-Oxomethyl]Amino]Acetic Acid; 2-[(2-Methylphenyl)Carbonylamino]Ethanoic Acid; Smr000368956
Molecular Structure CAS#: 42013-20-7, 2-Methylhippuric Acid
Molecular Formula C10H11NO3
Molecular Weight 193.20
CAS Registry Number 42013-20-7
EINECS 255-622-7
SMILES C1=C(C(NCC(O)=O)=O)C(=CC=C1)C
InChI 1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey YOEBAVRJHRCKRE-UHFFFAOYSA-N
Properties
Density 1.229g/cm3 (Cal.)
Melting point 163°C (Expl.)
Boiling point 419.22°C at 760 mmHg (Cal.)
Flash point 207.337°C (Cal.)
Safety Data
SDS Available
References
(1) Fengxia ZhangThe two authors contributed equally to this work., Zhenhua Jia, Peng Gao, Hongwei Kong, Xiang Li, Xin Lu, Yiling Wu and Guowang Xu. Metabonomics study of urine and plasma in depression and excess fatigue rats by ultra fast liquid chromatography coupled with ion trap-time of flight mass spectrometry, Mol. Biosyst., 2010, 6, 852.
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