AG004S6X

85743-02-8 | 2-Amino-4-(methoxycarbonyl)benzoic acid

AG004S6X

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CAS Number	85743-02-8
Catalog Number	AG004S6X(AGN-PC-056LPQ)
Chemical Name	2-Amino-4-(methoxycarbonyl)benzoic acid
IUPAC Name	2-amino-4-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H9NO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,10H2,1H3,(H,11,12)
InChI Key	WOLYDIFKLNALLS-UHFFFAOYSA-N
MDL Number	MFCD08690068
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	O=C(O)C1=CC=C(C(OC)=O)C=C1N
Synonyms	2-Amino-4-(methoxycarbonyl)benzoic acid, 85743-02-8, 2-amino-4-methoxycarbonylbenzoic acid, 2-Carboxy-5-(methoxycarbonyl)aniline, 2-Amino-4-methoxycarbonyl benzoic acid, AK139837, 1,4-Benzenedicarboxylicacid, 2-amino-, 4-methyl ester, AMBZ0039, SCHEMBL1462210, CTK5F5693, KS-00000MSU, DTXSID90537835, methyl 3-amino-4-carboxybenzoate, WOLYDIFKLNALLS-UHFFFAOYSA-N, 4-carbomethoxy-2-aminobenzoic acid, ZX-AT015536, 0855AF, FCH862446, MFCD08690068, SBB053749, ZINC14985559, AKOS006291523, CS-W006509, OR40063, 2-Amino-terephthalic acid 4-methyl ester, AJ-66351, AM804423, DA-02586, TS-00293, AX8070209, FT-0702833, W-3093, 2-amino-benzene-1,4-dicarboxylic acid,4-methyl ester, C9H9NO4, 1,4-Benzenedicarboxylic acid, 2-amino-, 4-methyl ester,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	89.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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