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106990-55-0 | 2H-Isoxazolo[5,4-d]pyrazolo[3,4-b]pyridine(9CI)
CAS No: 106990-55-0 Catalog No: AG007TJR MDL No:
Product Description
Catalog Number:
AG007TJR
Chemical Name:
2H-Isoxazolo[5,4-d]pyrazolo[3,4-b]pyridine(9CI)
CAS Number:
106990-55-0
Molecular Formula:
C7H4N4O
Molecular Weight:
160.1329
IUPAC Name:
3-oxa-4,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C7H4N4O/c1-4-2-10-12-6(4)5-3-9-11-7(5)8-1/h1-3,10H
InChI Key:
LFMNCBVAAGKPIM-UHFFFAOYSA-N
SMILES:
n1nc2c(c1)c1o[nH]cc1cn2
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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