AG00DHXA

51227-30-6 | 1-(4-Methyl-3-pyridinyl)-Ethanone

AG00DHXA

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CAS Number	51227-30-6
Catalog Number	AG00DHXA(AGN-PC-0ND87E)
Chemical Name	1-(4-Methyl-3-pyridinyl)-Ethanone
IUPAC Name	1-(4-methylpyridin-3-yl)ethanone
InChI	InChI=1S/C8H9NO/c1-6-3-4-9-5-8(6)7(2)10/h3-5H,1-2H3
InChI Key	LCEINQHGZAFADC-UHFFFAOYSA-N
MDL Number	MFCD08447082
Molecular Formula	C8H9NO
Molecular Weight	135.1632
SMILES	CC(=O)C1=C(C)C=CN=C1
Synonyms	51227-30-6, 1-(4-methylpyridin-3-yl)ethanone, 1-(4-Methyl-3-pyridinyl)ethanone, 3-acetyl-4-methylpyridine, 1-(4-METHYL-3-PYRIDINYL)-ETHANONE, 1-(4-methylpyridin-3-yl)ethan-1-one, MFCD08447082, 1-(4-methyl-pyridin-3-yl)-ethanone, 4-methyl-3-acetylpyridine, 3-ACETYL-4-PICOLINE, SCHEMBL3100795, CTK1G5195, 1-(4-methylpyrid-3-yl)ethanone, LCEINQHGZAFADC-UHFFFAOYSA-N, KS-00003SV8, ZINC8764112, 7123AB, ANW-66591, SBB055670, AKOS006289404, AB45306, CM-1932, MCULE-1864551259, Ethanone, 1-(4-methyl-3-pyridinyl)-, AJ-59228, TS-01743, DB-071324, ST2403218, TC-155336, FT-0761390, Z1582263146, C8H9NO, ACN-041603, CID10942481,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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