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217526-14-2 | 1H-Pyrazolo[3,4-e]benzoxazole
CAS No: 217526-14-2 Catalog No: AG006ZWW MDL No:
Product Description
Catalog Number:
AG006ZWW
Chemical Name:
1H-Pyrazolo[3,4-e]benzoxazole
CAS Number:
217526-14-2
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
1H-pyrazolo[3,4-e][1,3]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-6-8(9-4-12-6)7-5(1)3-10-11-7/h1-4H,(H,10,11)
InChI Key:
KILWPWKXLHERSW-UHFFFAOYSA-N
SMILES:
c1oc2c(n1)c1[nH]ncc1cc2
Properties
Complexity:
187
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:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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