AG003HPH

42013-20-7 | 2-(2-Methylbenzamido)acetic acid

AG003HPH

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COA

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CAS Number	42013-20-7
Catalog Number	AG003HPH(AGN-PC-0WAFW7)
Chemical Name	2-(2-Methylbenzamido)acetic acid
EC Number	255-622-7
IUPAC Name	2-[(2-methylbenzoyl)amino]acetic acid
InChI	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)
InChI Key	YOEBAVRJHRCKRE-UHFFFAOYSA-N
MDL Number	MFCD00050991
Molecular Formula	C10H11NO3
Molecular Weight	193.1992
NSC Number	163983
SMILES	CC1=C(C(=O)NCC(=O)O)C=CC=C1
UNII	J043BCI40Z
Synonyms	2-methylhippuric acid, o-methylhippuric acid, ortho-methylhippuric acid, 2-Methylhippuric acid, 42013-20-7, o-Toluric acid, N-(o-Toluoyl)glycine, N-(2-Methylbenzoyl)glycine, o-Methylhippuric acid, 2-(2-Methylbenzamido)acetic acid, 2-[(2-Methylphenyl)Formamido]Acetic Acid, UNII-J043BCI40Z, Glycine, N-(2-methylbenzoyl)-, N-(o-Toluoyl)-glycine, 2-Methyl Hippuric Acid, NSC 163983, MLS001002411, J043BCI40Z, CHEBI:68455, SMR000368956, N-[(2-methylphenyl)carbonyl]glycine, EINECS 255-622-7, PubChem1906, ACMC-209jmt, Opera_ID_915, ortho-methylhippuric acid, N-(Methylbenzoyl)glycine, AC1Q2EML, AC1Q5FGT, N-(methylbenzoyl)-Glycine, AC1L3MH7, Oprea1_321487, Glycine, N-(methylbenzoyl)-, N-(2-methylbenzoyl)-Glycine, 2-Methylhippuric acid, 98%, CHEMBL457228, SCHEMBL1285567, CTK2F5249, DTXSID60194818, YOEBAVRJHRCKRE-UHFFFAOYSA-N, HMS1755D21, HMS2688M04, ZINC389513, 5091AH, ANW-29715, BBL036195, MFCD00050991, NSC163983, STL483031, AKOS000264575, [(2-Methylbenzoyl)amino]acetic acid #, 2-[(2-methylbenzoyl)amino]acetic acid, CS-W015776, HY-W015060, MCULE-6971330465, NE37060, NSC-163983, KS-0000136L, Glycine, N-(2-methylbenzoyl)- (9CI), NCGC00246096-01, AS-10313, DB-025911, TC-118460, FT-0613051, ST50405491, 2-[(2-methylphenyl)carbonylamino]acetic acid, I01-17729, Z56983120, 66940-32-7, InChI=1/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, C10H11NO3, CID91637, AR-1J8118, C10-H11-N-O3, T0719, M-3778, 68186-32-3,

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	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number