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88101-46-6 | Pyrazolo[1,5-a]pyrimidine-2,7(1H,4H)-dione, 5-methyl-
CAS No: 88101-46-6 Catalog No: AG004J1P MDL No:
Product Description
Catalog Number:
AG004J1P
Chemical Name:
Pyrazolo[1,5-a]pyrimidine-2,7(1H,4H)-dione, 5-methyl-
CAS Number:
88101-46-6
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
IUPAC Name:
5-methyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
InChI:
InChI=1S/C7H7N3O2/c1-4-2-7(12)10-5(8-4)3-6(11)9-10/h2-3,8H,1H3,(H,9,11)
InChI Key:
HUQLSIBDWPTBSA-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n2c([nH]1)cc(=O)[nH]2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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