AG007LJ7

135124-71-9 | 5-(Hydroxymethyl)nicotinonitrile

AG007LJ7

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CAS Number	135124-71-9
Catalog Number	AG007LJ7(AGN-PC-03OZOA)
Chemical Name	5-(Hydroxymethyl)nicotinonitrile
IUPAC Name	5-(hydroxymethyl)pyridine-3-carbonitrile
InChI	InChI=1S/C7H6N2O/c8-2-6-1-7(5-10)4-9-3-6/h1,3-4,10H,5H2
InChI Key	MNMDVGJZONSKMO-UHFFFAOYSA-N
MDL Number	MFCD07367899
Molecular Formula	C7H6N2O
Molecular Weight	134.1353
SMILES	C(#N)c1cc(CO)cnc1
Synonyms	5-(Hydroxymethyl)nicotinonitrile, 135124-71-9, (5-Cyanopyridin-3-yl)methanol, 5-(HYDROXYMETHYL)PYRIDINE-3-CARBONITRILE, (5-CYANOPYRIDIN-3-YL)-METHANOL, 3-PYRIDINECARBONITRILE, 5-(HYDROXYMETHYL)-, J-501580, 5-(HYDROXYMETHYL)-3-PYRIDINECARBONITRILE, 5-hydroxymethyl-nicotinonitrile, SCHEMBL1413439, 3-cyano-5-hydroxymethylpyridine, CTK4B9668, DTXSID40625599, MNMDVGJZONSKMO-UHFFFAOYSA-N, 6277AA, ANW-72012, FCH855104, MFCD07367899, ZINC21984979, 5-hydroxymethyl-3-pyridinecarbonitrile, AKOS006286050, AB31356, QC-6513, RP20110, (5-CYANO(PYRIDIN-3-YL))METHANOL, AC-14235, AJ-79279, AK-58368, DS-16142, AX8046150, TC-160757, FT-0767883, -methanol, C7H6N2O, 3-Pyridinecarbonitrile, 5-(hydroxymethyl)- (9CI),

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	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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