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1363405-50-8 | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5-dihydro-5-oxo-, ethyl ester
CAS No: 1363405-50-8 Catalog No: AG0011RZ MDL No:
Product Description
Catalog Number:
AG0011RZ
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5-dihydro-5-oxo-, ethyl ester
CAS Number:
1363405-50-8
Molecular Formula:
C9H9N3O3
Molecular Weight:
207.1861
IUPAC Name:
ethyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
InChI:
InChI=1S/C9H9N3O3/c1-2-15-9(14)6-5-7-10-8(13)3-4-12(7)11-6/h3-5H,2H2,1H3,(H,10,13)
InChI Key:
MRIVQOCMICUUQW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2n(n1)ccc(=O)[nH]2
Properties
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:
0.3
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