AG004JX7

87032-82-4 | 3-hydroxyisonicotinonitrile

AG004JX7

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CAS Number	87032-82-4
Catalog Number	AG004JX7(AGN-PC-00K9ET)
Chemical Name	3-hydroxyisonicotinonitrile
IUPAC Name	3-hydroxypyridine-4-carbonitrile
InChI	InChI=1S/C6H4N2O/c7-3-5-1-2-8-4-6(5)9/h1-2,4,9H
InChI Key	WHPBWFPVRFLVMZ-UHFFFAOYSA-N
MDL Number	MFCD13175206
Molecular Formula	C6H4N2O
Molecular Weight	120.1088
SMILES	OC1=C(C=CN=C1)C#N
Synonyms	3-Hydroxyisonicotinonitrile, 87032-82-4, 3-Hydroxypyridine-4-carbonitrile, 4-Cyano-3-hydroxypyridine, 4-PYRIDINECARBONITRILE, 3-HYDROXY-, 3-HYDROXY-4-PYRIDINECARBONITRILE, SCHEMBL191406, CTK8C0519, DTXSID80514034, WHPBWFPVRFLVMZ-UHFFFAOYSA-N, 3723AC, ANW-64820, MFCD13175206, ZINC39349073, AKOS005199116, DS-4108, MB12322, QC-9939, AJ-99974, AK103411, TC-153565, FT-0689994, C-0254, C6H4N2O,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.032g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	120.111g/mol
Monoisotopic Mass	120.032g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	56.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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