AG000PM2

119741-57-0 | ethyl 5-cyano-1H-pyrazole-4-carboxylate

AG000PM2

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CAS Number	119741-57-0
Catalog Number	AG000PM2(AGN-PC-0NZY1I)
Chemical Name	ethyl 5-cyano-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-cyano-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C7H7N3O2/c1-2-12-7(11)5-4-9-10-6(5)3-8/h4H,2H2,1H3,(H,9,10)
InChI Key	YIFOMNFBIJFEFH-UHFFFAOYSA-N
MDL Number	MFCD18917036
Molecular Formula	C7H7N3O2
Molecular Weight	165.1494
SMILES	O=C(C1=C(C#N)NN=C1)OCC
Synonyms	ethyl 5-cyano-1H-pyrazole-4-carboxylate, 119741-57-0, 1H-Pyrazole-4-carboxylic acid, 3-cyano-, ethyl ester, 3-cyano-1H-Pyrazole-4-carboxylic acid ethyl ester, ethyl 5-cyanopyrazole-4-carboxylate, SCHEMBL8513092, DTXSID50558208, ALBB-025526, MFCD18917036, SBB072334, ZINC34260498, AKOS015899620, AKOS022636940, ACN-000565, MCULE-7429298002, Ethyl5-cyano-1H-pyrazole-4-carboxylate, ethyl 3-cyano-1H-pyrazole-4-carboxylate, AJ-87692, DA-16799, SC-49410, CS-0054355, FT-0740010, ST45027917, Y-7707, 1H-pyrazole-4-carboxylic acid, 5-cyano-, ethyl ester, I14-11654,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.054g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.152g/mol
Monoisotopic Mass	165.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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