AG00GVSG

926663-00-5 | 5-Hydroxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester

AG00GVSG

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CAS Number	926663-00-5
Catalog Number	AG00GVSG(AGN-PC-0W0MXK)
Chemical Name	5-Hydroxy-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester
IUPAC Name	ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI	InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-10-12-4-3-7(13)11-8(6)12/h3-5H,2H2,1H3,(H,11,13)
InChI Key	PCKVUOAPCLMZJI-UHFFFAOYSA-N
MDL Number	MFCD12407818
Molecular Formula	C9H9N3O3
Molecular Weight	207.1861
SMILES	O=C(C1=C2NC(C=CN2N=C1)=O)OCC
Synonyms	ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate, 926663-00-5, ETHYL 5-HYDROXYPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE, AK-28196, ethyl 5-oxo-4H,5H-pyrazolo[1,5-a]pyrimidine-3-carboxylate, 1026456-01-8, 5-oxo-4,5-dihydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester, PubChem20882, SCHEMBL404918, CTK5H1572, DTXSID10582923, PCKVUOAPCLMZJI-UHFFFAOYSA-N, BCP20685, CS-D1654, KS-000006PT, 3438AF, MFCD12407818, SBB093837, ZINC35242022, AKOS005073902, PB29995, QC-5383, AJ-90817, AM807426, AB0072000, AX8206426, TR-038432, BB 0262438, FT-0681737, Q-3076, I03-1403, ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate, Ethyl 5-oxo-1,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate, ethyl 5-oxo-4,8-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate, ethyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate, 5-Oxo-4,5-dihydro-pyrazolo1,5-apyrimidine-3-carboxylic acid ethyl ester, C9H9N3O3, ethyl5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.189g/mol
Monoisotopic Mass	207.064g/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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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