AG00IISH

951626-95-2 | ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

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CAS Number	951626-95-2
Catalog Number	AG00IISH(AGN-PC-066L3N)
Chemical Name	ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
IUPAC Name	ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
InChI	InChI=1S/C9H11N3O3/c1-2-15-9(14)6-5-7-8(13)10-3-4-12(7)11-6/h5H,2-4H2,1H3,(H,10,13)
InChI Key	RNMVWTOANIAUAU-UHFFFAOYSA-N
MDL Number	MFCD09832110
Molecular Formula	C9H11N3O3
Molecular Weight	209.2019
SMILES	O=C(C1=NN2C(C(NCC2)=O)=C1)OCC
Synonyms	Ethyl 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate, 951626-95-2, AK113708, 4-OXO-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID ETHYL ESTER, SCHEMBL2520510, DTXSID90655341, RNMVWTOANIAUAU-UHFFFAOYSA-N, ethyl 4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate, MFCD09832110, PP1543, ZINC35934022, AKOS016009821, DS-2778, PB31395, KS-00000H07, AJ-92258, DA-00328, AX8149624, 4CH-007658, BB 0258522, CS-0040200, FT-0743504, ST24030623, Z5395, Q-2244, ethyl 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate, Ethyl 4-oxo-4,5,6,7-tetrahydropyrazolo [1,5-a]pyrazine-2-carboxylate, 4,5,6,7-tetrahydro-4-oxo-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester, 4-Oxo-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine-3-carboxylic acid ethyl ester, 4-(Hex-1-yl)aniline, C9H11N3O3, na,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.08g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.205g/mol
Monoisotopic Mass	209.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	73.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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