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831222-24-3 | Benzo[1,2-c:3,4-c']diisoxazole(9CI)
CAS No: 831222-24-3 Catalog No: AG004W3V MDL No:
Product Description
Catalog Number:
AG004W3V
Chemical Name:
Benzo[1,2-c:3,4-c']diisoxazole(9CI)
CAS Number:
831222-24-3
Molecular Formula:
C8H4N2O2
Molecular Weight:
160.1296
IUPAC Name:
[1,2]oxazolo[3,4-e][2,1]benzoxazole
InChI:
InChI=1S/C8H4N2O2/c1-2-7-6(4-12-9-7)8-5(1)3-11-10-8/h1-4H
InChI Key:
WMXJZOMFHMZNNL-UHFFFAOYSA-N
SMILES:
o1nc2c(c1)c1nocc1cc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.132g/mol
Monoisotopic Mass:
160.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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