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84030-70-6 | 1H-Pyrazolo[3,4-g]-2,1-benzisoxazole(9CI)
CAS No: 84030-70-6 Catalog No: AG004U7M MDL No:
Product Description
Catalog Number:
AG004U7M
Chemical Name:
1H-Pyrazolo[3,4-g]-2,1-benzisoxazole(9CI)
CAS Number:
84030-70-6
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
1H-pyrazolo[3,4-g][2,1]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-7-6(3-9-10-7)8-5(1)4-12-11-8/h1-4,11H
InChI Key:
UYBYFENGRBZCSZ-UHFFFAOYSA-N
SMILES:
n1nc2c(c1)c1[nH]occ1cc2
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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