AG002ULH

277299-70-4 | 3H-Pyrazol-3-one, 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-

AG002ULH

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CAS Number	277299-70-4
Catalog Number	AG002ULH(AGN-PC-00F3UR)
Chemical Name	3H-Pyrazol-3-one, 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-
IUPAC Name	2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one
InChI	InChI=1S/C12H14N2O/c1-8-4-5-11(6-9(8)2)14-12(15)7-10(3)13-14/h4-7,13H,1-3H3
InChI Key	HBWBJCSXUJIDGN-UHFFFAOYSA-N
MDL Number	MFCD09795980
Molecular Formula	C12H14N2O
Molecular Weight	202.2524
SMILES	O=C1N(C2=CC=C(C)C(C)=C2)NC(C)=C1
Synonyms	277299-70-4, 2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3(2H)-one, 2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one, 2-(3,4-dimethylphenyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 1-(3,4-dimethylphenyl)-3-methyl-1H-pyrazol-5-ol, 2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one, AK117652, 3H-Pyrazol-3-one, 2-(3,4-dimethylphenyl)-1,2-dihydro-5-methyl-, 1-(3,4-Dimethylphenyl)-3-methyl-5-pyrazolone, J-503088, 2-(3,4-Dimethyl-phenyl)-5-methyl-1,2-dihydro-pyrazol-3-one, 925633-57-4, 1H-Pyrazol-5-ol, 1-(3,4-dimethylphenyl)-3-methyl-, SCHEMBL407138, SCHEMBL407942, DIH003, CTK8E3357, DTXSID90471326, HBWBJCSXUJIDGN-UHFFFAOYSA-N, NZIOWLDKKHIQHG-UHFFFAOYSA-N, ZINC9530926, MFCD09795980, STK356566, STK621934, AKOS002278983, AKOS005555749, AKOS025394595, ZINC100072421, ACN-041350, AN-3546, MCULE-9035923226, RP25947, AC-24708, AJ-59569, AS-19752, EN001685, SC-21905, AB1008480, AX8242132, TX-016043, D5064, FT-0689793, FT-0703365, ST24039244, ST50799550, X3181, Y6618, 1-(3,4-dimethylphenyl)-3-methylpyrazol-5-ol, 795D980, I14-9223, 1H-pyrazol-3(2H)-one,2-(3,4-Dimethylphenyl)-5-meth, 2-(3,4-Dimethylphenyl)-5-methyl- 1H-pyrazol-3(2H)-one, 2-(3,4-dimethylphenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one, C12H14N2O, CID11735829, 1-(3,4-dimethylphenyl)-3-methyl-3-pyrazolin-5-one, 18048-64-1,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.111g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.257g/mol
Monoisotopic Mass	202.111g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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