AG00DCXZ

51227-29-3 | 2-Methyl-1-(pyridin-3-yl)propan-1-one

AG00DCXZ

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CAS Number	51227-29-3
Catalog Number	AG00DCXZ(AGN-PC-0NICO3)
Chemical Name	2-Methyl-1-(pyridin-3-yl)propan-1-one
IUPAC Name	2-methyl-1-pyridin-3-ylpropan-1-one
InChI	InChI=1S/C9H11NO/c1-7(2)9(11)8-4-3-5-10-6-8/h3-7H,1-2H3
InChI Key	TWDULYDQIGVEKY-UHFFFAOYSA-N
MDL Number	MFCD09864465
Molecular Formula	C9H11NO
Molecular Weight	149.1897
SMILES	CC(C(=O)C=1C=NC=CC1)C
Synonyms	51227-29-3, 2-methyl-1-(pyridin-3-yl)propan-1-one, 2-METHYL-1-(3-PYRIDINYL)-1-PROPANONE, 1-Propanone, 2-methyl-1-(3-pyridinyl)-, 2-Methyl-1-(3-pyridyl)-1-propanone, 3-Isobutyrylpyridine, AC1Q1NWU, 3-pyridyl isopropyl ketone, Pyrid-3-yl isopropyl ketone, SCHEMBL888775, CTK1G5196, DTXSID40484027, Isopropyl (pyridin-3-yl) ketone, TWDULYDQIGVEKY-UHFFFAOYSA-N, MFCD09864465, ZINC19091651, AKOS010016660, MCULE-6884142598, AJ-71657, SY129311, EN300-54113, MFCD09864465 (95%), Y-5812, Z1251171262, 2-METHYL-1- -1-PROPANONE,

Complexity	143
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	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number