AG003DQG

950-81-2 | 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde

AG003DQG

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CAS Number	950-81-2
Catalog Number	AG003DQG(AGN-PC-0W4NWN)
Chemical Name	1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde
EC Number	213-452-0
IUPAC Name	1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde
InChI	InChI=1S/C12H12N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key	QFYZFYDOEJZMDX-UHFFFAOYSA-N
MDL Number	MFCD00003144
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
NSC Number	60408
SMILES	CN1N(C(=O)C(C=O)=C1C)C1=CC=CC=C1
Synonyms	950-81-2, 4-Antipyrinecarboxaldehyde, 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde, Antipyraldehyde, 4-Formylantipyrine, 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxaldehyde, 4-Antipyrine carboxaldehyde, 1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde, 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde, 2,3-dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carbaldehyde, Antipyrinaldehyd, NSC60408, EINECS 213-452-0, 4-Formyl-antipyrine, 4-Formyl Antipyrine, NSC 60408, zlchem 1073, Antipyrine, 4-formyl-, 4-ANTIPYRINEcarbaldehyde, Antipyrine-4-carboxaldehyde, AC1L2DY1, MLS000720037, SCHEMBL680008, CHEMBL1705468, CTK5H7369, 4-Antipyrinecarboxaldehyde, 97%, DTXSID10241720, ZLD0539, QFYZFYDOEJZMDX-UHFFFAOYSA-N, HMS2590M05, ZINC119347, AC1Q4007, ALBB-021324, 6334AC, ANW-69226, BBL003403, KM3326, MFCD00003144, NSC-60408, SBB000559, STK895073, 1H-Pyrazole-4-carboxaldehyde, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, AKOS001482867, MCULE-5870576732, PS-7929, VZ28343, KS-0000189K, NCGC00245823-01, AJ-11568, SC-13285, SMR000304566, ZB003949, TC-157971, FT-0606970, ST24036883, ST45028196, EN300-27803, SR-01000078751, J-640197, J-800198, SR-01000078751-1, 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol, 1-Phenyl-2,3-dimethyl-4-formyl-3-pyrazoline-5-one, I14-50640, F0348-3312, [(1R,2S,5R)-2-isopropenyl-5-methyl-cyclohexyl] acetate, 2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazoline-4-carboxaldehyde, 2,3-Dihydro-1,5-dimethyl-4-formyl-3-oxo-2-phenyl-1H-pyrazole, 1H-Pyrazole-4-carboxaldehyde,2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, 1H-Pyrazole-4-carboxaldehyde,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-, Febranine, C12H12N2O2, 3-(2-Fluorophenyl)propionic acid, CID70371, C12-H12-N2-O2,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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