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149626-22-2 | Isoxazolo[4,3-e]pyrazolo[1,5-a]pyrimidine(9CI)
CAS No: 149626-22-2 Catalog No: AG007HYB MDL No:
Product Description
Catalog Number:
AG007HYB
Chemical Name:
Isoxazolo[4,3-e]pyrazolo[1,5-a]pyrimidine(9CI)
CAS Number:
149626-22-2
Molecular Formula:
C7H4N4O
Molecular Weight:
160.1329
IUPAC Name:
4-oxa-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaene
InChI:
InChI=1S/C7H4N4O/c1-2-9-11-6(1)8-3-5-4-12-10-7(5)11/h1-4H
InChI Key:
GWQXYUVLDBDERW-UHFFFAOYSA-N
SMILES:
o1cc2c(n1)n1nccc1nc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.136g/mol
Monoisotopic Mass:
160.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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