AG003EGP

60728-41-8 | 3-Amino-4-(methoxycarbonyl)benzoic acid

AG003EGP

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CAS Number	60728-41-8
Catalog Number	AG003EGP(AGN-PC-03HSBU)
Chemical Name	3-Amino-4-(methoxycarbonyl)benzoic acid
IUPAC Name	3-amino-4-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12)
InChI Key	QKOKLMFCKLEFDV-UHFFFAOYSA-N
MDL Number	MFCD00189374
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
SMILES	O=C(O)C1=CC=C(C(=O)OC)C(N)=C1
Synonyms	60728-41-8, 3-amino-4-(methoxycarbonyl)benzoic acid, 1-Methyl 2-Aminoterephthalate, 2-Aminoterephthalic Acid 1-Methyl Ester, 3-Amino-4-methoxycarbonylbenzoic Acid, 3-Amino-4-carbomethoxybenzoic Acid, 3-amino-4-methoxycarbonyl-benzoic Acid, AC1NR6VX, SCHEMBL263573, CTK3J5007, DTXSID00412129, QKOKLMFCKLEFDV-UHFFFAOYSA-N, ZINC395540, 4-carbomethoxy-3-aminobenzoic acid, 9077AB, ANW-56859, MFCD00189374, 1-Methyl-2-aminoterephthalate, 98%, 2-Aminoterephthalic acid methyl ester, AKOS015894770, 1-Methyl hydrogen 2-aminoterephthalate, MCULE-9654352072, 2-amino-terephthalic acid 1-methyl ester, 3-Amino-4-(methoxylcarbonyl)benzoic acid, AJ-21507, AN-39367, DB-053695, RT-002308, ST2417454, AM20040833, FT-0608017, ST51038286, I05-2871, InChI=1/C9H9NO4/c1-14-9(13)6-3-2-5(8(11)12)4-7(6)10/h2-4H,10H2,1H3,(H,11,12, Inocor, 1-Methyl2-aminoterephthalate, C9H9NO4, 1-Methyl-2-aminoterephthalate, CID5235500, 5-Amino-(3,4'-bipyridin)-6(1H)-one, A1507, 1-Methyl-2-aminoterephthalate, 98% - 25G 25g,

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	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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