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60209-92-9 | 2H-Pyrazolo[3,4-g]-1,2-benzisoxazole(9CI)
CAS No: 60209-92-9 Catalog No: AG00EXSR MDL No:
Product Description
Catalog Number:
AG00EXSR
Chemical Name:
2H-Pyrazolo[3,4-g]-1,2-benzisoxazole(9CI)
CAS Number:
60209-92-9
IUPAC Name:
3,3a,4,5,5a,6,7,8,8a,8b-decahydro-2H-[1,2]oxazolo[5,4-e]indazole
InChI:
InChI=1S/C8H15N3O/c1-2-7-6(4-9-11-7)8-5(1)3-10-12-8/h5-11H,1-4H2
InChI Key:
FDGWASGJYQYZKW-UHFFFAOYSA-N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.122g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.228g/mol
Monoisotopic Mass:
169.122g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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