AG00APBG

1721-12-6 | 1-(2-Methylpyridin-3-yl)ethanone

AG00APBG

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CAS Number	1721-12-6
Catalog Number	AG00APBG(AGN-PC-0ND87F)
Chemical Name	1-(2-Methylpyridin-3-yl)ethanone
IUPAC Name	1-(2-methylpyridin-3-yl)ethanone
InChI	InChI=1S/C8H9NO/c1-6-8(7(2)10)4-3-5-9-6/h3-5H,1-2H3
InChI Key	NNBYTRDSKTZTGA-UHFFFAOYSA-N
MDL Number	MFCD00128179
Molecular Formula	C8H9NO
Molecular Weight	135.1632
SMILES	CC(C1=CC=CN=C1C)=O
Synonyms	1-(2-methylpyridin-3-yl)ethanone, 1721-12-6, 3-ACETYL-2-METHYLPYRIDINE, 2-methyl-3-acetylpyridine, 1-(2-METHYLPYRIDIN-3-YL)ETHAN-1-ONE, ETHANONE, 1-(2-METHYL-3-PYRIDINYL)-, 1-(2-methyl-3-pyridinyl)ethanone, 1-(2-methyl-pyridin-3-yl)-ethanone, acetylpicoline, SCHEMBL70978, CTK0G9456, 1-(2-methyl-3-pyridyl)ethanone, 1-(2-methylpyrid-3-yl)ethanone, DTXSID00449091, NNBYTRDSKTZTGA-UHFFFAOYSA-N, 1-(2-methylpyridine-3-yl)ethanone, KS-00000HR8, MFCD00128179, ZINC13306840, AKOS006272153, AB03570, RP01055, AJ-63608, AK-60286, AN-49768, BC650807, DS-16386, DB-064839, FT-0742634, Y7806, 721M126, S02-0291, W-206020, C8H9NO, CID10942482, A3790,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	135.166g/mol
Monoisotopic Mass	135.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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