AG0037DU

31795-61-6 | 6-(Hydroxymethyl)nicotinonitrile

AG0037DU

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CAS Number	31795-61-6
Catalog Number	AG0037DU(AGN-PC-09T2JR)
Chemical Name	6-(Hydroxymethyl)nicotinonitrile
IUPAC Name	6-(hydroxymethyl)pyridine-3-carbonitrile
InChI	InChI=1S/C7H6N2O/c8-3-6-1-2-7(5-10)9-4-6/h1-2,4,10H,5H2
InChI Key	KRCJWYXQNALNSP-UHFFFAOYSA-N
MDL Number	MFCD11100746
Molecular Formula	C7H6N2O
Molecular Weight	134.1353
SMILES	OCC1=NC=C(C#N)C=C1
Synonyms	6-(HYDROXYMETHYL)NICOTINONITRILE, 31795-61-6, 6-(hydroxymethyl)pyridine-3-carbonitrile, 3-PYRIDINECARBONITRILE, 6-(HYDROXYMETHYL)-, SCHEMBL450944, 6-Hydroxymethyl-nicotinonitrile, CTK4G7753, DTXSID00699610, KRCJWYXQNALNSP-UHFFFAOYSA-N, (5-cyano-pyridin-2-yl)-methanol, ANW-69895, MFCD11100746, ZINC35570024, AKOS006309232, MCULE-7233964194, NE53006, SB21414, AJ-91553, AK100822, AS-33306, CJ-18774, TC-158640, CS-0080086, ST24024226, Z1869802580,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	134.138g/mol
Monoisotopic Mass	134.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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