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1224944-46-0 | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5-dihydro-5-oxo-
CAS No: 1224944-46-0 Catalog No: AG0017B5 MDL No:MFCD20660725
Product Description
Catalog Number:
AG0017B5
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, 4,5-dihydro-5-oxo-
CAS Number:
1224944-46-0
Molecular Formula:
C7H5N3O3
Molecular Weight:
179.1329
MDL Number:
MFCD20660725
IUPAC Name:
5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
InChI:
InChI=1S/C7H5N3O3/c11-5-1-2-10-6(9-5)4(3-8-10)7(12)13/h1-3H,(H,9,11)(H,12,13)
InChI Key:
BUPOQCSUQCCPAW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnn2c1[nH]c(=O)cc2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.135g/mol
Monoisotopic Mass:
179.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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