AG0037DY

33890-03-8 | 4-Aminoisophthalic acid

AG0037DY

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CAS Number	33890-03-8
Catalog Number	AG0037DY(AGN-PC-007G7U)
Chemical Name	4-Aminoisophthalic acid
IUPAC Name	4-aminobenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H7NO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChI Key	BDBLLWHZWCBDAR-UHFFFAOYSA-N
MDL Number	MFCD00102008
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	O=C(O)C1=CC=C(N)C(C(O)=O)=C1
Synonyms	4-Aminoisophthalic acid, 33890-03-8, 4-AMINOBENZENE-1,3-DIOIC ACID, 4-aminobenzene-1,3-dicarboxylic Acid, AK-88278, MFCD00102008, 1-amino-2,4-dicarboxy-benzene, 4-amino isophthalic acid, 4-amino-isophthalic acid, 5-carboxyanthranilic acid, SCHEMBL265109, CHEMBL3278363, CTK8C1865, DTXSID70463305, BDBLLWHZWCBDAR-UHFFFAOYSA-N, KS-00000QJ8, ANW-67393, FCH839447, ZINC33494531, AKOS002677164, RP03233, 1,3-Benzenedicarboxylic acid, 4-amino-, AJ-86161, AS-45754, BL002650, AB0041082, AX8237378, TC-156138, FT-0687125, Y8783, K-7777, I01-7508, C8H7NO4, CID11355852, 4-aminobenzene-1,3-dioic acid, 95% - 1G 1g, 4-Aminobenzene-1,3-dioic acid, 97% - 1G 1g,

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	0.5

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

Lot Number