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42318-51-4 | 2H-Pyrazolo[3,4-g]benzoxazole(9CI)
CAS No: 42318-51-4 Catalog No: AG0072PX MDL No:
Product Description
Catalog Number:
AG0072PX
Chemical Name:
2H-Pyrazolo[3,4-g]benzoxazole(9CI)
CAS Number:
42318-51-4
Molecular Formula:
C8H5N3O
Molecular Weight:
159.1448
IUPAC Name:
2H-pyrazolo[3,4-g][1,3]benzoxazole
InChI:
InChI=1S/C8H5N3O/c1-2-7-8(12-4-9-7)5-3-10-11-6(1)5/h1-3H,4H2
InChI Key:
ICWYFBOMDJSELM-UHFFFAOYSA-N
SMILES:
N1=Cc2c(=N1)ccc1=NCOc21
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:
0
Isotope Atom Count:
0
Molecular Weight:
159.148g/mol
Monoisotopic Mass:
159.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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