AG009DTI

13120-33-7 | [Methyl(phenyl)amino](oxo)acetic acid

AG009DTI

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CAS Number	13120-33-7
Catalog Number	AG009DTI(AGN-PC-0NJWHP)
Chemical Name	[Methyl(phenyl)amino](oxo)acetic acid
IUPAC Name	2-(N-methylanilino)-2-oxoacetic acid
InChI	InChI=1S/C9H9NO3/c1-10(8(11)9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,13)
InChI Key	RMOUHWPZZGSLOT-UHFFFAOYSA-N
MDL Number	MFCD09864583
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	O=C(O)C(N(C)C1=CC=CC=C1)=O
Synonyms	[methyl(phenyl)amino](oxo)acetic acid, 13120-33-7, 2-(Methyl(phenyl)amino)-2-oxoacetic acid, Oxamic Acid/Ester, 24, N-Methyl-N-phenyloxamidic acid, SCHEMBL9456596, BDBM93306, CTK8E2964, DTXSID10506922, ALBB-009506, [methyl(phenyl)carbamoyl]formic acid, 3650AD, Acetic acid, (methylphenylamino)oxo-, BBL003751, MFCD09864583, STK501929, ZINC19092767, 2-(N-methylanilino)-2-oxoacetic acid, AKOS005172215, MCULE-2797491080, AJ-71903, AB0154985, TR-004260, FT-0679582, J3.539.929A, Y-5896, I04-4930, C9H9NO3,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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