AG0095GH

1031351-95-7 | Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate

AG0095GH

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CAS Number	1031351-95-7
Catalog Number	AG0095GH(AGN-PC-0CFIST)
Chemical Name	Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate
IUPAC Name	methyl 5-formyl-2-methylpyrazole-3-carboxylate
InChI	InChI=1S/C7H8N2O3/c1-9-6(7(11)12-2)3-5(4-10)8-9/h3-4H,1-2H3
InChI Key	VPSIMTTZTQHQNU-UHFFFAOYSA-N
MDL Number	MFCD22376784
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	O=C(C1=CC(C=O)=NN1C)OC
Synonyms	Methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate, 1031351-95-7, SCHEMBL1938052, DTXSID80729343, VPSIMTTZTQHQNU-UHFFFAOYSA-N, 0750AA, MFCD22376784, ZINC85210645, DS-5754, FCH1615969, AK112699, AJ-126717, AX8222227, methyl 5-formyl-2-methylpyrazole-3-carboxylate, 5-Formyl-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester, C7H8N2O3, Methyl3-forMyl-1-Methyl-1H-pyrazole-5-carboxylate, methyl 3-formyl-1-methyl-1H-pyrazole-5-carboxylate, 95% - 1G 1g,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.152g/mol
Monoisotopic Mass	168.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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