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23296-57-3 | 5,5'-Biisoxazole
CAS No: 23296-57-3 Catalog No: AG002MT8 MDL No:
Product Description
Catalog Number:
AG002MT8
Chemical Name:
5,5'-Biisoxazole
CAS Number:
23296-57-3
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
IUPAC Name:
5-(1,2-oxazol-5-yl)-1,2-oxazole
InChI:
InChI=1S/C6H4N2O2/c1-3-7-9-5(1)6-2-4-8-10-6/h1-4H
InChI Key:
YSMPIGJMISTWFY-UHFFFAOYSA-N
SMILES:
c1noc(c1)c1ccno1
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.11g/mol
Monoisotopic Mass:
136.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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