AG00ECQJ

58553-48-3 | 2-CYANO-5-HYDROXYMETHYLPYRIDINE

AG00ECQJ

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CAS Number	58553-48-3
Catalog Number	AG00ECQJ(AGN-PC-0NI8PI)
Chemical Name	2-CYANO-5-HYDROXYMETHYLPYRIDINE
IUPAC Name	5-(hydroxymethyl)pyridine-2-carbonitrile
InChI	InChI=1S/C7H6N2O/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4,10H,5H2
InChI Key	UFTHYXJJRHOQGT-UHFFFAOYSA-N
MDL Number	MFCD09029606
Molecular Formula	C7H6N2O
Molecular Weight	134.1353
SMILES	N#CC1=NC=C(CO)C=C1
Synonyms	58553-48-3, 2-cyano-5-hydroxymethylpyridine, 5-(Hydroxymethyl)picolinonitrile, 5-(HYDROXYMETHYL)PYRIDINE-2-CARBONITRILE, 2-Pyridinecarbonitrile, 5-(hydroxymethyl)-, SCHEMBL453185, 3-hydroxymethyl-6-cyanopyridine, CTK1G8019, KS-00003SUV, DTXSID60482489, UFTHYXJJRHOQGT-UHFFFAOYSA-N, KM0211, MFCD09029606, ZINC21987003, 5-Hydroxymethylpyridine-2-carbonitrile, AKOS006289098, AB49273, 5-hydroxymethyl-pyridine-2-carbonitrile, AJ-79482, AK141578, CJ-17122, TS-01731, V6774, 5-(HYDROXYMETHYL)-2-PYRIDINECARBONITRILE, J-400704, C7H6N2O, (6-methylpyridin-3-yl)methanol, 34107-46-5,

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

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number