AG00I9P9

54300-08-2 | 2-Acetyl-3,5(6)-dimethylpyrazine, mixture of isomers

AG00I9P9

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CAS Number	54300-08-2
Catalog Number	AG00I9P9(AGN-PC-0WA5Z5)
Chemical Name	2-Acetyl-3,5(6)-dimethylpyrazine, mixture of isomers
EC Number	259-076-0
IUPAC Name	1-(3,5-dimethylpyrazin-2-yl)ethanone
InChI	InChI=1S/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3
InChI Key	UCGOSAWBWFUKDT-UHFFFAOYSA-N
MDL Number	MFCD00055023
Molecular Formula	C8H10N2O
Molecular Weight	150.1778
SMILES	CC(=O)C1=C(C)N=C(C)C=N1
UNII	RES1FSY5Z7
Synonyms	2-Acetyl-3,5-dimethylpyrazine, 54300-08-2, 1-(3,5-dimethylpyrazin-2-yl)ethanone, Ethanone, 1-(3,5-dimethylpyrazinyl)-, UNII-RES1FSY5Z7, 2-Acetyl-3,5(6)-dimethylpyrazine, mixture of isomers, RES1FSY5Z7, 1-(3,5-Dimethylpyrazinyl)ethan-1-one, Ethanone, 1-(3,5-dimethyl-2-pyrazinyl)-, 2-Acetyl-3,5-dimethyl pyrazine, Ethanone, 1-(dimethylpyrazinyl)-, UCGOSAWBWFUKDT-UHFFFAOYSA-N, Pyrazine, 2-acetyl-3,5-dimethyl, AK-54947, 1-(3,5-Dimethyl-2-pyrazinyl)-1-ethanone, W-105645, 1-(3,5-Dimethylpyrazin-2-yl)ethanone mixture of isomers, 125301-57-7, EINECS 259-076-0, AC1L2XDK, AC1Q5FZH, 1-(3,5-dimethylpyrazin-2-yl)ethan-1-one, ACMC-1AM8T, KSC122G8F, SCHEMBL2491805, DTXSID1068938, CTK0C2382, KS-000010OB, ZINC2516010, 1-(3,5-Dimethylpyrazinyl)-Ethanone, ANW-64042, MFCD00055023, AKOS015900064, FCH1124021, TRA0073389, VP40025, 1-(3,5-Dimethyl-2-pyrazinyl)ethanone, 1-(3,5-Dimethyl-2-pyrazinyl)-Ethanone, 1-(3,5-Dimethylpyrazinyl)ethanone, 9CI, AJ-36940, AN-40563, AS-15962, CC-08522, R561, 1-(3,5-Dimethyl-2-pyrazinyl)ethanone #, AX8010637, DB-020323, RT-002920, FT-0640234, ST24026861, K-9797, 300A082, C-02848, I14-1079, UNII-O16657H2TP component UCGOSAWBWFUKDT-UHFFFAOYSA-N, 2-Acetyl-3,5(6)-dimethylpyrazine, mixture of isomers, >=98%, 2-Acetyl-3,5(6)-dimethylpyrazine, mixture of isomers, >=98%, FG, C8H10N2O, 1- ETHAN-1-ONE, UNII-O16657H2TP, 2-Acetyl-3,5(6)-dimethylpyrazine, 1-(3,-Dimethylpyrazinyl)ethan-1-one, C8-H10-N2-O, EINECS 276-848-2, AR-1I7708, CID104721, Ethanone, 1-(3,?-dimethylpyrazinyl)-, 2-Acetyl-3,(5 or 6)-dimethylpyrazine, Ethanone, 1-(3,?-dimethyl-2-pyrazinyl)-, 72797-17-2, 55804-65-4,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.181g/mol
Monoisotopic Mass	150.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H227-H315-H319-H335
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number