AG003JOO

112758-40-4 | 3-methyl-1H-pyrazole-4-carbaldehyde

AG003JOO

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CAS Number	112758-40-4
Catalog Number	AG003JOO(AGN-PC-0NY0BT)
Chemical Name	3-methyl-1H-pyrazole-4-carbaldehyde
IUPAC Name	5-methyl-1H-pyrazole-4-carbaldehyde
InChI	InChI=1S/C5H6N2O/c1-4-5(3-8)2-6-7-4/h2-3H,1H3,(H,6,7)
InChI Key	NWDMGTFNIOCVDU-UHFFFAOYSA-N
MDL Number	MFCD01313822
Molecular Formula	C5H6N2O
Molecular Weight	110.1139
SMILES	CC1=N[NH]C=C1C=O
Synonyms	3-methyl-1H-pyrazole-4-carbaldehyde, 112758-40-4, 5-methyl-1H-pyrazole-4-carbaldehyde, 3-Methyl-1H-pyrazole-4-carboxaldehyde, 3-Methylpyrazole-4-carbaldehyde, 3-Methylpyrazole-4-carboxaldehyde, 1H-PYRAZOLE-4-CARBOXALDEHYDE, 3-METHYL-, MFCD01313822, 1395070-81-1, 5-methylpyrazole-4-carbaldehyde, PubChem16065, ACMC-1BRBY, AC1MC1TG, 4-Formyl-3-methylpyrazole, AC1Q2Q5D, 3-methyl-4-formylpyra-zole, KSC496A3P, SCHEMBL669436, AMOT0271, 4-Formyl-3-methyl-1H-pyrazole, CTK3J6037, 3-methyl-pyrazole-4-carbaldehyde, DTXSID80375001, NWDMGTFNIOCVDU-UHFFFAOYSA-N, ACT07985, ALBB-016366, BCP26275, ZINC4243451, 3-Methyl-1h-pyrazol-4-carbaldehyde, 3-methyl-2H-pyrazole-4-carbaldehyde, ANW-49666, BBL100158, SBB024513, STK506954, 3-methyl-1H-pyrazol-4-carboxaldehyde, AKOS000273949, AKOS004121035, BCP9000130, CM-1600, CS-W019932, MCULE-4695510996, PB32235, PS-5693, QC-3991, RP00490, RP18914, RP18970, RTC-069199, SB20255, TRA0031898, VP20162, 1H-Pyrazole-4-carboxaldehyde,3-methyl-, 1H-pyrazole-4-carboxaldehyde, 5-methyl-, AC-27341, AJ-49573, AJ-49574, AK-27719, AN-33462, BR-27719, CJ-11665, SC-47372, SY024565, AB0034813, AB1008092, DB-002516, ST2410776, TC-069199, 4CH-002090, AM20080079, BB 0219782, BB 0258663, FT-0648347, M2643, ST45054993, TL80073568, X9029, 3-Methyl-1H-pyrazole-4-carboxaldehyde, 97%, EN300-31214, S-4830, MFCD01313822 (97+%), 758M404, I11-0398, W-204799, F2199-0358, F8887-2117, 1257849-73-2, null, C5H6N2O, ZINC04243451, CID2760056, A2271, T0356, 1H-Pyrazole-4-carboxaldehyde, 3-methyl- (9CI), 3-methyl-1h-pyrazole-4-carbaldehyde hydrochloride, 3-Methyl-1H-pyrazole-4-carbaldehyde, 98% - 1G 1g,

Complexity	94.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	110.116g/mol
Monoisotopic Mass	110.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

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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