AG00CJ3Q

34529-06-1 | 3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER

AG00CJ3Q

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CAS Number	34529-06-1
Catalog Number	AG00CJ3Q(AGN-PC-00MAOG)
Chemical Name	3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER
IUPAC Name	dimethyl 3-aminobenzene-1,2-dicarboxylate
InChI	InChI=1S/C10H11NO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,11H2,1-2H3
InChI Key	VEJKSNHPNFHCLF-UHFFFAOYSA-N
MDL Number	MFCD09029586
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	COC(=O)C1=CC=CC(N)=C1C(=O)OC
Synonyms	Dimethyl 3-aminophthalate, 34529-06-1, 3-Amino-phthalic acid dimethyl ester, 1,2-dimethyl 3-aminobenzene-1,2-dicarboxylate, dimethyl 3-aminobenzene-1,2-dicarboxylate, 3-Aminophthalic Acid Dimethyl Ester, AK-80284, 1,2-BENZENEDICARBOXYLIC ACID, 3-AMINO-, 1,2-DIMETHYL ESTER, 1,2-Benzenedicarboxylic acid, 3-amino-, dimethyl ester, methyl 2-amino-6-(methoxycarbonyl)benzoate, methyl 3-amino phthalate, Dimethyl-3-aminophthalate, SCHEMBL60709, CTK8C0124, DTXSID80539363, VEJKSNHPNFHCLF-UHFFFAOYSA-N, ALBB-025534, KS-000006MV, 4165AB, ANW-64170, MFCD09029586, SBB072566, STL433375, ZINC21986947, AKOS015962615, CS-W019874, PB31341, WT82236, ACM34529061, AJ-79480, BC211754, DS-15898, SC-52584, AB0089973, AX8083655, DB-069019, dimethyl 3-azanylbenzene-1,2-dicarboxylate, Methyl 3-amino-2-(methoxycarbonyl)benzoate, Methyl-3-amino-2-(methoxycarbonyl)benzoate, TC-152915, FT-0726601, ST45028468, Q-1450, A822264, DIMETHYL 3-AMINO-1,2-BENZENEDICARBOXYLATE, 3-AMINO-1,2-PHTHALIC ACID, DIMETHYL ESTER, 3-aminobenzene-1,2-dicarboxylic acid dimethyl ester, 1,2-benzenedicarboxylic acid, 3-amino-, dimethyl ester, hydrochloride, C10H11NO4, 3-AMINO-1,2-PHTHALICACID,DIMETHYLESTER,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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