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1224944-45-9 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5-dihydro-5-oxo-, methyl ester
CAS No: 1224944-45-9 Catalog No: AG0017B6 MDL No:MFCD26096479
Product Description
Catalog Number:
AG0017B6
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5-dihydro-5-oxo-, methyl ester
CAS Number:
1224944-45-9
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
MDL Number:
MFCD26096479
IUPAC Name:
methyl 5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI:
InChI=1S/C8H7N3O3/c1-14-8(13)5-4-9-11-3-2-6(12)10-7(5)11/h2-4H,1H3,(H,10,12)
InChI Key:
QCTSIBHHYAEQFW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn2c1[nH]c(=O)cc2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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