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107457-74-9 | 1H-Isoxazolo[3,4-d]pyrazolo[3,4-b]pyridine(9CI)
CAS No: 107457-74-9 Catalog No: AG007W5T MDL No:
Product Description
Catalog Number:
AG007W5T
Chemical Name:
1H-Isoxazolo[3,4-d]pyrazolo[3,4-b]pyridine(9CI)
CAS Number:
107457-74-9
Molecular Formula:
C7H4N4O
Molecular Weight:
160.1329
IUPAC Name:
4-oxa-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C7H4N4O/c1-4-3-12-11-6(4)5-2-9-10-7(5)8-1/h1-3,11H
InChI Key:
YAPAWFSWEDLVCV-UHFFFAOYSA-N
SMILES:
n1nc2c(c1)c1[nH]occ1cn2
Properties
Complexity:
400
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:
1
Isotope Atom Count:
0
Molecular Weight:
160.136g/mol
Monoisotopic Mass:
160.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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