AG00BC0C

300853-66-1 | 4,5-Dihydroxy-1,2-benzenedicarbonitrile

AG00BC0C

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CAS Number	300853-66-1
Catalog Number	AG00BC0C(AGN-PC-0JU8JM)
Chemical Name	4,5-Dihydroxy-1,2-benzenedicarbonitrile
IUPAC Name	4,5-dihydroxybenzene-1,2-dicarbonitrile
InChI	InChI=1S/C8H4N2O2/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2,11-12H
InChI Key	YOFFYWYKQYCONO-UHFFFAOYSA-N
MDL Number	MFCD08460230
Molecular Formula	C8H4N2O2
Molecular Weight	160.1296
SMILES	OC1=C(O)C=C(C#N)C(=C1)C#N
Synonyms	4,5-dihydroxyphthalonitrile, 300853-66-1, 4,5-DIHYDROXY-1,2-BENZENEDICARBONITRILE, 4,5-dihydroxybenzene-1,2-dicarbonitrile, 1,2-benzenedicarbonitrile, 4,5-dihydroxy-, PubChem19792, AC1LD74G, 4,5-dihydroxy-phthalonitrile, 4,5-Dihydroxypht halonitrile, BEN005, SCHEMBL1852436, CTK8C1001, DTXSID20349165, YOFFYWYKQYCONO-UHFFFAOYSA-N, 4,5-dihydroxy-1,2-dicyanobenzene, ANW-65695, FCH861589, MFCD08460230, ZINC13481383, AKOS006290209, AC-27563, AJ-63904, AK-89395, AN-28916, EN001529, SC-89743, AX8052973, DB-049831, TC-154440, FT-0714716, ST24042600, 853B661, InChI=1/C8H4N2O2/c9-3-5-1-7(11)8(12)2-6(5)4-10/h1-2,11-12, 4,5-dihydroxy phthalonitrile, 4,5-Dihydroxybenzene-1,2-dinitrile, CID643390, 4-isopropyl-1,3-thiazole-2-carboxylic acid,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.132g/mol
Monoisotopic Mass	160.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	88A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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