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173894-82-1 | 1H-Pyrazolo[3,4-e][1,2]benzisoxazole (9CI)
CAS No: 173894-82-1 Catalog No: AG001Z8R MDL No:
Product Description
Catalog Number:
AG001Z8R
Chemical Name:
1H-Pyrazolo[3,4-e][1,2]benzisoxazole (9CI)
CAS Number:
173894-82-1
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
7H-pyrazolo[3,4-e][1,2]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-7-6(4-10-12-7)8-5(1)3-9-11-8/h1-4,10H
InChI Key:
VDFRGJITWGKSMD-UHFFFAOYSA-N
SMILES:
n1oc2c(c1)c1[nH]ncc1cc2
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:
4
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:
0.7
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