AG002BEZ

19829-74-4 | 1,3-Benzenedicarboxylic acid, 4,6-dihydroxy-

AG002BEZ

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CAS Number	19829-74-4
Catalog Number	AG002BEZ(AGN-PC-00AN53)
Chemical Name	1,3-Benzenedicarboxylic acid, 4,6-dihydroxy-
IUPAC Name	4,6-dihydroxybenzene-1,3-dicarboxylic acid
InChI	InChI=1S/C8H6O6/c9-5-2-6(10)4(8(13)14)1-3(5)7(11)12/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key	MZGVIIXFGJCRDR-UHFFFAOYSA-N
MDL Number	MFCD08693472
Molecular Formula	C8H6O6
Molecular Weight	198.1296
SMILES	OC1=C(C=C(C(=O)O)C(=C1)O)C(=O)O
Synonyms	4,6-dihydroxyisophthalic acid, 4,6-Dihydroxyisophthalic acid, 19829-74-4, 4,6-dihydroxybenzene-1,3-dicarboxylic Acid, 4,6-DIHYDROXY-ISOPHTHALIC ACID, 1,3-Benzenedicarboxylic acid, 4,6-dihydroxy-, AK-83872, AE-562/43460009, 4,6-dihydroxy-1,3-benzenedicarboxylic acid, SCHEMBL460201, CTK0H2309, DTXSID50467841, resorcinol-4,6-dicarboxylic acid, BCP11816, 0194AB, ANW-67692, FCH862621, MFCD08693472, ZINC34604490, AKOS000278113, TRA0024460, AJ-89691, DS-17332, SY014603, AB0187238, AX8238076, TC-156437, CS-0060125, 1,3-Benzenedicarboxylicacid, 4,6-dihydroxy-, Z-5020, MFCD08693472 (95+%), C8H6O6, CID11513935,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.016g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	198.13g/mol
Monoisotopic Mass	198.016g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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