AG00D6LQ

40711-33-9 | Ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate

AG00D6LQ

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CAS Number	40711-33-9
Catalog Number	AG00D6LQ(AGN-PC-0WAMTS)
Chemical Name	Ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate
IUPAC Name	ethyl 5-oxo-1,2-dihydropyrazole-3-carboxylate
InChI	InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h3H,2H2,1H3,(H2,7,8,9)
InChI Key	FGCPAXRNQIOISG-UHFFFAOYSA-N
MDL Number	MFCD20489429
Molecular Formula	C6H8N2O3
Molecular Weight	156.1393
SMILES	O=C(C1=CC(NN1)=O)OCC
UNII	3SIH379M21
Synonyms	ethyl 5-hydroxy-1H-pyrazole-3-carboxylate, 85230-37-1, ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate, 40711-33-9, 5-Hydroxy-1H-pyrazole-3-carboxylic acid ethyl ester, 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, ethyl ester, UNII-3SIH379M21, 3SIH379M21, 5-HYDROXY-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER, 5-Oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester, ethyl 5-hydroxypyrazole-3-carboxylate, PubChem20550, 3-Ethoxycarbonyl-5-pyrazolone, SCHEMBL692383, KS-00000PEE, KS-00000PFK, DTXSID60511405, FGCPAXRNQIOISG-UHFFFAOYSA-N, 3-Ethoxycarbonyl-5-hydroxypyrazole, KS-00003GY3, ZINC1653144, ANW-52576, MFCD09263987, MFCD20489429, SBB026848, STK510258, AKOS005169149, AKOS016347343, AKOS016358880, AB50344, ACN-000974, ACN-000976, AS-5269, ethyl 5-Hydroxy-pyrazole-3-carboxylate, MCULE-3921309793, SB12166, AC-30519, AJ-28832, AK-78074, AK139789, AM806361, DA-16774, ethyl 3-hydroxy-1H-pyrazole-5-carboxylate, DB-058709, DB-076296, ST2413040, TC-141321, BB 0257491, FT-0648730, FT-0732332, ST45135601, J3.244.198J, Z-6282, A1-00375, F2147-1825, Z1741973710, 1H-Pyrazole-3-carboxylic acid, 2,5-dihydro-5-oxo-, ethyl ester, 86625-25-4, 1018446-60-0, 58607-90-2,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	156.141g/mol
Monoisotopic Mass	156.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.4A^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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