AG007PZM

22042-79-1 | 1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-phenyl-

AG007PZM

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CAS Number	22042-79-1
Catalog Number	AG007PZM(AGN-PC-0JLXWT)
Chemical Name	1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-phenyl-
EC Number	244-750-9
IUPAC Name	3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde
InChI	InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key	VOMRTQQGXWPTJK-UHFFFAOYSA-N
MDL Number	MFCD00051396
Molecular Formula	C12H12N2O
Molecular Weight	200.2365
SMILES	O=Cc1c(C)nn(c1C)c1ccccc1
Synonyms	3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 22042-79-1, 3,5-dimethyl-1-phenylpyrazole-4-carbaldehyde, 3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde, 1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-, 1H-Pyrazole-4-carboxaldehyde,3,5-dimethyl-1-phenyl-, 3,5-dimethyl-1-phenyl-pyrazole-4-carbaldehyde, VOMRTQQGXWPTJK-UHFFFAOYSA-N, 3,5-dimethyl-4-formyl-1-phenylpyrazole, 3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde, 99%, AC1L3HB7, MLS000769663, SCHEMBL1779819, CHEMBL1376252, DTXSID9066756, CTK4E8372, ZINC65247, HMS2778J24, ALBB-000099, EINECS 244-750-9, 1170AB, ANW-74075, BBL007896, MFCD00051396, SBB003547, STK387222, AKOS000100588, AS-5541, CD-1917, MCULE-6102508424, VP20051, NCGC00246497-01, AJ-10161, AN-16616, SMR000434377, ST056383, ZB002505, DB-013034, TR-050371, BB 0217075, CS-0061399, FT-0638178, 3,5-dimethyl-1-phenyl-4-pyrazolecarboxaldehyde, 3?5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde, W-6371, 3,5-dimethyl-1-phenyl 1H-pyrazole-4-carbaldehyde, A815867, AE-641/00647010, SR-01000318933, J-014441, SR-01000318933-1, 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde #, I14-91776, InChI=1/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H, C12H12N2O, CID89179, ZINC00065247, D1171, 3,5-Dimethyl-1-phenylpyrazole-4-carboxaldehyde, 99% - 1G 1g,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.241g/mol
Monoisotopic Mass	200.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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