AG005N3O

73010-36-3 | 1-(5-Methylpyridin-2-yl)propan-2-one

AG005N3O

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CAS Number	73010-36-3
Catalog Number	AG005N3O(AGN-PC-0WB38Z)
Chemical Name	1-(5-Methylpyridin-2-yl)propan-2-one
IUPAC Name	1-(5-methylpyridin-2-yl)propan-2-one
InChI	InChI=1S/C9H11NO/c1-7-3-4-9(10-6-7)5-8(2)11/h3-4,6H,5H2,1-2H3
InChI Key	IHWRVCONMXLQQT-UHFFFAOYSA-N
MDL Number	MFCD09864215
Molecular Formula	C9H11NO
Molecular Weight	149.1897
SMILES	N1=CC(C)=CC=C1CC(C)=O
Synonyms	73010-36-3, 1-(5-METHYLPYRIDIN-2-YL)ACETONE, 1-(5-methylpyridin-2-yl)propan-2-one, 1-(5-methyl-2-pyridinyl)acetone, SCHEMBL7229581, CTK5D7231, DTXSID40595400, IHWRVCONMXLQQT-UHFFFAOYSA-N, MFCD09864215, ZINC19088017, AKOS012501647, AJ-70886, 1-(5-Methylpyridin-2-yl)acetone, AldrichCPR, Y-5651,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.084g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	149.193g/mol
Monoisotopic Mass	149.084g/mol
Rotatable Bond Count	2
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	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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