AG003GAH

196194-98-6 | 2-Acetamido-5-methoxy-4-nitrobenzoic acid

AG003GAH

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CAS Number	196194-98-6
Catalog Number	AG003GAH(AGN-PC-0398EU)
Chemical Name	2-Acetamido-5-methoxy-4-nitrobenzoic acid
IUPAC Name	2-acetamido-5-methoxy-4-nitrobenzoic acid
InChI	InChI=1S/C10H10N2O6/c1-5(13)11-7-4-8(12(16)17)9(18-2)3-6(7)10(14)15/h3-4H,1-2H3,(H,11,13)(H,14,15)
InChI Key	QWIICWOSUUZYES-UHFFFAOYSA-N
MDL Number	MFCD10568173
Molecular Formula	C10H10N2O6
Molecular Weight	254.1962
SMILES	COC1=C(C=C(NC(C)=O)C(=C1)C(O)=O)[N+]([O-])=O
Synonyms	2-ACETAMIDO-5-METHOXY-4-NITROBENZOIC ACID, 196194-98-6, Benzoic acid, 2-(acetylamino)-5-methoxy-4-nitro-, PubChem19550, 2-Acetamido-5-methoxy-4-nitrobenzoicAcid, SCHEMBL3828291, KS-00000CCI, DTXSID90611725, QWIICWOSUUZYES-UHFFFAOYSA-N, 0121AB, MFCD10568173, ZINC42684197, AKOS015904233, TRA0039052, ACM196194986, AS-31525, SC-24013, SY002904, AB0059041, AJ-104452, AX8036890, DB-018490, TC-306958, 2-Acetylamino-5-methoxy-4-nitrobenzoic acid, FT-0734359, 2-(acetylamino)-5-methoxy-4-nitroBenzoic acid, K-5761, MFCD10568173 (97+%), I14-17389, C10H10N2O6, 162356-38-9,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.054g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	254.198g/mol
Monoisotopic Mass	254.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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