AG003AAN

5434-20-8 | 3-Aminophthalic acid

AG003AAN

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CAS Number	5434-20-8
Catalog Number	AG003AAN(AGN-PC-0JLS1I)
Chemical Name	3-Aminophthalic acid
EC Number	226-595-9
IUPAC Name	3-aminophthalic acid
InChI	InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key	WGLQHUKCXBXUDV-UHFFFAOYSA-N
MDL Number	MFCD00075053
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	15741
SMILES	NC1=C(C(C(=O)O)=CC=C1)C(=O)O
UNII	7XV0V19ZDG
Synonyms	3-Aminophthalic acid, 5434-20-8, 3-Amino-1,2-benzenedicarboxylic acid, 3-Amino-phthalic acid, Phthalic acid, 3-amino-, 3-Aminophthalicacid, 1,2-Benzenedicarboxylic acid, 3-amino-, UNII-7XV0V19ZDG, 3-aminobenzene-1,2-dicarboxylic acid, 1,2-Benzenedicarboxylic acid, amino-, 7XV0V19ZDG, WGLQHUKCXBXUDV-UHFFFAOYSA-N, 857040-74-5, 3-Aminophthalic acid, 95%, Q-103169, aminophthalic acid, 3-aminopthalic acid, EINECS 226-595-9, 3-Amino-1,2-benzenedicarboxylicacid, o-Aminophthalic acid, NSC 15741, 3-amino phthalic acid, PubChem13477, ACMC-1AMAU, AC1L2XHX, AC1Q50PP, AC1Q5TH9, SCHEMBL48723, CHEMBL2420929, DTXSID9063879, CTK1F5743, KS-00001FGN, ZINC389579, ACT08997, CS-M2811, NSC15741, 7829AB, ANW-66524, CA-339, MFCD00075053, NSC-15741, SBB059383, AKOS004114683, 1,2-Benzenedicarboxylic acid,3-amino-, 1,2-Benzenedicarboxylicacid, 3-amino-, AC-6693, AN-1222, AS07032, MCULE-3815428212, RP24229, VZ26348, AJ-20844, AK-40831, AS-36893, AX8006229, DB-022269, TR-019214, 3-Aminophthalic acid, technical grade, 90%, FT-0613472, FT-0652760, ST50825163, TL80090831, 3-AMINO-1,2-BENZENE DICARBOXYLIC ACID, 34036-EP2295055A2, 34036-EP2311453A1, I01-6027, J-511720, S01-0824, 1,2-Benzenedicarboxylic acid, diisooctyl ester_Gurudeeban & Satyavani, 55874-54-9, UP8, 4-Aminophthalate, Citrullus colocynthis, 4-Aminophthalic acid, Coastal medicinal plant, 1, 3-amino-, C8H7NO4, C8-H7-N-O4, CID79490, AR-1F1947, ACN-030162, A1516, A7900, 6946-22-1, 7149-90-8,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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