AG00EHIC

58607-90-2 | Ethyl 5-oxo-5H-pyrazole-3-carboxylate

AG00EHIC

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CAS Number	58607-90-2
Catalog Number	AG00EHIC(AGN-PC-0JO5FS)
Chemical Name	Ethyl 5-oxo-5H-pyrazole-3-carboxylate
IUPAC Name	ethyl 5-oxo-1,4-dihydropyrazole-3-carboxylate
InChI	InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-5(9)8-7-4/h2-3H2,1H3,(H,8,9)
InChI Key	KNWNWWDKWKYUBB-UHFFFAOYSA-N
MDL Number	MFCD00020698
Molecular Formula	C6H8N2O3
Molecular Weight	156.1393
NSC Number	14668
SMILES	O=C(C(C1)=NNC1=O)OCC
Synonyms	Ethyl 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylate, 58607-90-2, MLS002638396, AK-30336, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-, ethyl ester, 5-oxo-2-pyrazoline-3-carboxylic acid,ethyl ester, NSC14668, AC1L5DZD, CHEMBL1698434, CTK3E6424, DTXSID70279928, KNWNWWDKWKYUBB-UHFFFAOYSA-N, HMS3089L10, KS-00000G7M, FCH837527, MFCD00020698, NSC-14668, AKOS006273747, ZINC100003561, ACN-000975, SB21938, DA-16736, SC-13651, SMR001547880, TS-00081, CS-0061631, FT-0729619, ethyl 5-oxo-1,4-dihydropyrazole-3-carboxylate, 5-oxo-2-pyrazoline-3-carboxylic acid, ethyl ester, J-520901, Ethyl 5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylate, CID225371, ethyl 3-oxo-3H-pyrazole-5-carboxylate, ETHYL 5-OXO-5H-PYRAZOLE-3-CARBOXYLATE, 85230-37-1,

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	1
Isotope Atom Count	0
Molecular Weight	156.141g/mol
Monoisotopic Mass	156.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	1
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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