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197367-68-3 | Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,7-dihydro-5-methyl-7-oxo-
CAS No: 197367-68-3 Catalog No: AG002ARG MDL No:
Product Description
Catalog Number:
AG002ARG
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,7-dihydro-5-methyl-7-oxo-
CAS Number:
197367-68-3
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
IUPAC Name:
5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
InChI:
InChI=1S/C8H7N3O3/c1-4-2-7(12)11-6(9-4)3-5(10-11)8(13)14/h2-3,10H,1H3,(H,13,14)
InChI Key:
VFCWWYYDIFIVTM-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n2c([nH]1)cc(n2)C(=O)O
Properties
Complexity:
420
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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