AG003FSW

86-92-0 | 3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one

AG003FSW

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CAS Number	86-92-0
Catalog Number	AG003FSW(AGN-PC-0JL79B)
Chemical Name	3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one
EC Number	201-708-4
IUPAC Name	5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one
InChI	InChI=1S/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3
InChI Key	IOQOLGUXWSBWHR-UHFFFAOYSA-N
MDL Number	MFCD00035708
Molecular Formula	C11H12N2O
Molecular Weight	188.2258
SMILES	O=C1CC(C)=NN1C2=CC=C(C)C=C2
Synonyms	86-92-0, 3-Methyl-1-p-tolyl-5-pyrazolone, 3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one, 1-(p-Tolyl)-3-methyl-5-pyrazolone, 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-methylphenyl)-, 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one, 3-Methyl-1-p-tolyl-pyrazolin-5-one, 2-Pyrazolin-5-one, 3-methyl-1-p-tolyl-, EINECS 201-708-4, BRN 0610651, 5-methyl-2-(4-methylphenyl)-4H-pyrazol-3-one, IOQOLGUXWSBWHR-UHFFFAOYSA-N, 2-Pyrazolin-5-one, 3-methyl-1-(4-methylphenyl)-, 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one, 5-methyl-2-(p-tolyl)-4H-pyrazol-3-one, 3-Methyl-1-(p-tolyl)-2-pyrazolin-5-one, 3-methyl-1-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one, Tolylmethylpyrazolone, EC 201-708-4, AC1L25PQ, ARONIS022638, SCHEMBL2203669, CHEMBL3740157, DTXSID6052588, IOQOLGUXWSBWHR-UHFFFAOYSA-, KS-00000VZC, HMS1668I09, ALBB-030571, KS-00004DU8, ZINC4747108, 1-(p-Tolyl)-3-methylpyrazolone-5, MFCD00035708, STK047562, AKOS000289051, MCULE-2365174744, SDCCGMLS-0066222.P001, 3-Methyl-1-p-tolyl-5-pyrazolone,97%, AC-14556, AJ-52146, AN-42363, R637, ST021041, LS-128911, 3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, FT-0631410, M0554, ST24042295, 5-methyl-2-p-tolyl-2,4-dihydropyrazol-3-one, 5E-930, 3-methyl-1-(4-methylphenyl)-2-pyrazolin-5-one, 035M708, SR-01000467427, I01-2816, SR-01000467427-1, W-109315, 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one #, 5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one, AldrichCPR, InChI=1/C11H12N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6H,7H2,1-2H3, 4-Tolylmethylpyrazolone, UNII-JOR5BL098G, JOR5BL098G, C11H12N2O, AIDS020261, CID66591, C11-H12-N2-O,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.095g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	188.23g/mol
Monoisotopic Mass	188.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.7A^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
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number