AG00I7C4

37141-01-8 | 1,2,3-Benzenetricarboxylic acid, 5-amino-

AG00I7C4

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CAS Number	37141-01-8
Catalog Number	AG00I7C4(AGN-PC-001EW9)
Chemical Name	1,2,3-Benzenetricarboxylic acid, 5-amino-
IUPAC Name	5-aminobenzene-1,2,3-tricarboxylic acid
InChI	InChI=1S/C9H7NO6/c10-3-1-4(7(11)12)6(9(15)16)5(2-3)8(13)14/h1-2H,10H2,(H,11,12)(H,13,14)(H,15,16)
InChI Key	DEMLNKQMKMBNIU-UHFFFAOYSA-N
MDL Number	MFCD03839869
Molecular Formula	C9H7NO6
Molecular Weight	225.1550
SMILES	O=C(C1=CC(N)=CC(C(O)=O)=C1C(O)=O)O
Synonyms	37141-01-8, 5-Amino-1,2,3-benzenetricarboxylic acid, 1-Aminobenzene-3,4,5-tricarboxylic acid, 5-aminobenzene-1,2,3-tricarboxylic acid, 1,2,3-BENZENETRICARBOXYLIC ACID, 5-AMINO-, AK-23795, Q-103168, 5-Amino-1,2,3-benzenetricarboxylicacid, 3,4,5-tricarboxyaniline, SCHEMBL743743, CTK1C2389, DTXSID30560223, DEMLNKQMKMBNIU-UHFFFAOYSA-N, ACT04788, ZINC2512955, CA-340, MFCD03839869, AKOS015888135, AB16271, RP27580, VZ30002, KS-000010B1, AC-30321, AJ-36726, AS-36894, BC205001, CC-21076, Q797, 5-amino-benzene-1,2,3-tricarboxylic acid, AB0006307, AX8007494, DB-025303, FT-0639364, X-3871, 141A018, C-12746, I01-0289, C9H7NO6, A13627,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.027g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	225.156g/mol
Monoisotopic Mass	225.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	138A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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