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16840-55-4 | 3,3'-Biisoxazole
CAS No: 16840-55-4 Catalog No: AG001Y19 MDL No:
Product Description
Catalog Number:
AG001Y19
Chemical Name:
3,3'-Biisoxazole
CAS Number:
16840-55-4
Molecular Formula:
C6H4N2O2
Molecular Weight:
136.1082
IUPAC Name:
3-(1,2-oxazol-3-yl)-1,2-oxazole
InChI:
InChI=1S/C6H4N2O2/c1-3-9-7-5(1)6-2-4-10-8-6/h1-4H
InChI Key:
APDWXELTFVTRIC-UHFFFAOYSA-N
SMILES:
o1ccc(n1)c1ccon1
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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