AG00EIG3

59576-31-7 | Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- (9CI)

AG00EIG3

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CAS Number	59576-31-7
Catalog Number	AG00EIG3(AGN-PC-03X7D8)
Chemical Name	Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- (9CI)
IUPAC Name	1-(4,6-dimethylpyridin-2-yl)ethanone
InChI	InChI=1S/C9H11NO/c1-6-4-7(2)10-9(5-6)8(3)11/h4-5H,1-3H3
InChI Key	IWZFETYQIYPLIE-UHFFFAOYSA-N
MDL Number	MFCD07367303
Molecular Formula	C9H11NO
Molecular Weight	149.1897
SMILES	CC(=O)C1=NC(C)=CC(C)=C1
Synonyms	1-(4,6-Dimethylpyridin-2-yl)ethanone, 59576-31-7, 1-(4,6-dimethyl-2-pyridinyl)ethanone, 2-acetyl-4,6-dimethylpyridine, IWZFETYQIYPLIE-UHFFFAOYSA-N, 1-(4,6-DIMETHYLPYRIDIN-2-YL)ETHAN-1-ONE, Ethanone, 1-(4,6-dimethyl-2-pyridinyl)- (9CI), SCHEMBL875421, CTK8C1002, DTXSID30629541, 8866AB, ANW-65699, MFCD07367303, ZINC39069626, AKOS016005545, AB31120, AJ-97928, DA-18376, DS-18601, TX-015768, FT-0753137, C9H11NO,

Complexity	156
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	1
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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