AG002Q7M

25016-09-5 | 1H-Pyrazole-5-carboxaldehyde, 1,3-dimethyl-

AG002Q7M

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CAS Number	25016-09-5
Catalog Number	AG002Q7M(AGN-PC-0KKXH3)
Chemical Name	1H-Pyrazole-5-carboxaldehyde, 1,3-dimethyl-
IUPAC Name	2,5-dimethylpyrazole-3-carbaldehyde
InChI	InChI=1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3
InChI Key	JWYFGNVBKRJGTN-UHFFFAOYSA-N
MDL Number	MFCD02681907
Molecular Formula	C6H8N2O
Molecular Weight	124.1405
SMILES	O=CC1=CC(C)=NN1C
Synonyms	1,3-Dimethyl-1H-pyrazole-5-carbaldehyde, 25016-09-5, 1H-PYRAZOLE-5-CARBOXALDEHYDE, 1,3-DIMETHYL-, 1,3-dimethylpyrazole-5-carbaldehyde, 2,5-dimethylpyrazole-3-carbaldehyde, 1,3-Dimethyl-5-formyl-1H-pyrazole, 2,5-dimethyl-2h-pyrazole-3-carbaldehyde, AC1MCQWW, 1,3-dimethyl-1h-pyrazole-5-carboxaldehyde, SCHEMBL894594, AC1Q408I, CTK4F4811, KS-00000EXU, DTXSID00380016, JWYFGNVBKRJGTN-UHFFFAOYSA-N, ZINC158734, ALBB-021538, ANW-47284, BBL104313, MFCD02681907, SBB017345, STK312788, 1,3-dimethylpyrazole-5-carboxaldehyde, 2,5-dimethyl-3-pyrazolecarboxaldehyde, AKOS000305892, AB12155, AC-9359, AN-7094, CS-W005610, MCULE-5451280477, RP00739, 1,3-dimethyl-1H-pyrazol-5-carbaldehyde, AJ-15327, AK-29932, BP-10619, BR-29932, DS-11611, EN002206, SC-46099, ST078313, SY045459, ZB007046, 1,3-dimethyl-1 H-pyrazole-5-carbaldehyde, 2,5-dimethyl-2 h-pyrazole-3-carbaldehyde, AB0023705, DB-004319, TC-060184, 1H-Pyrazole-5-carboxaldehyde,1,3-dimethyl-, 2,5-Dimethyl-2 H -pyrazole-3-carbaldehyde, BB 0220355, FT-0606679, ST24032140, W4824, MFCD02681907 (90%), H09032, S-4961, 016D095, A817603, W-206916, I14-10791, 1,3 - Dimethyl - 1H - pyrazole - 5 - carbaldehyde, C6H8N2O, ZINC00158734, ACN-025508, CID2776362, 1,3-Dimethyl-1H-pyrazole-5-carbaldehyde, 97% - 1G 1g,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.064g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	124.143g/mol
Monoisotopic Mass	124.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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