AG005V82

73981-23-4 | Ethyl 3-ethyl-1H-pyrazole-4-carboxylate

AG005V82

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CAS Number	73981-23-4
Catalog Number	AG005V82(AGN-PC-0U49C2)
Chemical Name	Ethyl 3-ethyl-1H-pyrazole-4-carboxylate
IUPAC Name	ethyl 5-ethyl-1H-pyrazole-4-carboxylate
InChI	InChI=1S/C8H12N2O2/c1-3-7-6(5-9-10-7)8(11)12-4-2/h5H,3-4H2,1-2H3,(H,9,10)
InChI Key	WHXXMZCNOHVIDX-UHFFFAOYSA-N
MDL Number	MFCD07367317
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	CCOC(=O)C1=CNN=C1CC
Synonyms	Ethyl 3-ethyl-1H-pyrazole-4-carboxylate, 73981-23-4, ethyl 5-ethyl-1h-pyrazole-4-carboxylate, ethyl 3-ethylpyrazole-4-carboxylate, ETHYL-3-ETHYLPYRAZOLE-4-CARBOXYLATE, SCHEMBL3356162, CTK5D9029, DTXSID40628500, ZINC8700046, 1487AC, ANW-71640, CE-633, MFCD07367317, AKOS012538098, AKOS015917973, AJ-58326, AJ-58327, AK-77184, DS-16999, AX8129631, DB-012432, TC-160385, FT-0713137, 1H-Pyrazole-4-carboxylicacid,3-ethyl-,ethyl ester, I14-8940, 1H-Pyrazole-4-carboxylicacid, 3-ethyl-, ethyl ester, C8H12N2O2, N/A,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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