AG0082DB

1125-28-6 | 1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)ethanone

AG0082DB

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CAS Number	1125-28-6
Catalog Number	AG0082DB(AGN-PC-0JMP5L)
Chemical Name	1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)ethanone
IUPAC Name	1-(1,3,5-trimethylpyrazol-4-yl)ethanone
InChI	InChI=1S/C8H12N2O/c1-5-8(7(3)11)6(2)10(4)9-5/h1-4H3
InChI Key	RRRUNQHYQYTSHH-UHFFFAOYSA-N
MDL Number	MFCD00462201
Molecular Formula	C8H12N2O
Molecular Weight	152.1937
SMILES	CC(C1=C(C)N(C)N=C1C)=O
Synonyms	1125-28-6, 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanone, 1-(1,3,5-trimethylpyrazol-4-yl)ethanone, 1-(1,3,5-Trimethyl-1H-Pyrazol-4-Yl)-Ethanone, Ketone, methyl 1,3,5-trimethyl-pyrazol-4-yl, 1,3,5-trimethyl-4-acetylpyrazole, Ethanone, 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, 1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-one, 4-acetyl-1,3,5-trimethylpyrazole, SCHEMBL335081, AC1L39J8, CTK4A7853, DTXSID20150071, AC1Q4077, AC1Q4078, ZINC2565667, BBL013058, MFCD00462201, SBB021800, STK312138, AKOS000276491, MCULE-2825564598, AJ-41155, AK-99359, AS-19642, 1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one, FT-0714564, ST45091152, EN300-55876, Ketone, methyl 1,3,5-trimethyl-pyrazol-4-yl,, W-7062, Ethanone,1-(1,3,5-trimethyl-1H-pyrazol-4-yl)-, Z1245633407, CID136903, ZINC02565667,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	152.197g/mol
Monoisotopic Mass	152.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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