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282736-61-2 | 1H-Isoxazolo[3,4-d]pyrrolo[2,3-b]pyridine(9CI)
CAS No: 282736-61-2 Catalog No: AG00CH3G MDL No:
Product Description
Catalog Number:
AG00CH3G
Chemical Name:
1H-Isoxazolo[3,4-d]pyrrolo[2,3-b]pyridine(9CI)
CAS Number:
282736-61-2
IUPAC Name:
4-oxa-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C8H5N3O/c1-2-9-8-6(1)7-5(3-10-8)4-12-11-7/h1-4,11H
InChI Key:
QQBFDJZKABXINA-UHFFFAOYSA-N
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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