AG006W4W

253120-47-7 | 2-Amino-3-(methoxycarbonyl)benzoic acid

AG006W4W

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CAS Number	253120-47-7
Catalog Number	AG006W4W(AGN-PC-0LX5HF)
Chemical Name	2-Amino-3-(methoxycarbonyl)benzoic acid
IUPAC Name	2-amino-3-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H9NO4/c1-14-9(13)6-4-2-3-5(7(6)10)8(11)12/h2-4H,10H2,1H3,(H,11,12)
InChI Key	UXQCFHRNRAGKOY-UHFFFAOYSA-N
MDL Number	MFCD06200897
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	NC1=C(C(=O)OC)C=CC=C1C(=O)O
Synonyms	253120-47-7, 2-amino-3-(methoxycarbonyl)benzoic acid, methyl 2-amino-3-carboxybenzoate, 2-AMINO-ISOPHTHALIC ACID MONOMETHYL ESTER, 3-(methoxycarbonyl)-2-aminobenzoic acid, 2-amino-3-methoxycarbonylbenzoic acid, W-206946, MFCD06200897, 2-Amino-isophthalicacidmonomethylester, 2-amino-3-methoxycarbonyl-benzoic Acid, AC1MDRYF, PubChem22030, SCHEMBL465737, CTK4F5436, DTXSID50383436, UXQCFHRNRAGKOY-UHFFFAOYSA-N, KS-00002A0M, ZINC4272156, ZX-AT002425, 2-Aminoisophthalicacidmonomethylester, ANW-50427, FCH921140, SBB053745, 6-Carboxy-2-(methoxycarbonyl)aniline, AKOS006344482, AC-9128, AN-7323, DS-0780, METHYL2-AMINO-3-CARBOXYBENZOATE, OR14348, PS-3725, RP04001, 2-amino-3-(methoxycabonyl)benzoic acid, 2-Aminoisophthalic acid monomethyl ester, AJ-50023, AK-32181, AM807372, BR-32181, CC-09157, EN002737, SC-26171, AB0005929, AX8007812, DB-002069, ST2409458, TR-011573, 4CH-015303, FT-0644128, W4867, A13753, S-4550, 120A477, C-08796, S01-0797, 2-amino-isophthalic acid monomethyl ester, AldrichCPR, 2-Aminobenzene-1,3-dicarboxylic acid 1-methyl ester, 1,3-Benzenedicarboxylicacid, 2-amino-, 1-methyl ester, C9H9NO4, CID2794812, 3-(methoxycarbonyl)-2-aminobenzoic acid, 95% - 1G 1g, 1,3-Benzenedicarboxylic acid, 2-amino-, monomethyl ester (9CI),

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

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number