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194157-59-0 | Thiazolo[4,5-d]isoxazole(9CI)
CAS No: 194157-59-0 Catalog No: AG0074OV MDL No:
Product Description
Catalog Number:
AG0074OV
Chemical Name:
Thiazolo[4,5-d]isoxazole(9CI)
CAS Number:
194157-59-0
Molecular Formula:
C4H2N2OS
Molecular Weight:
126.1365
IUPAC Name:
[1,3]thiazolo[4,5-d][1,2]oxazole
InChI:
InChI=1S/C4H2N2OS/c1-3-4(7-6-1)8-2-5-3/h1-2H
InChI Key:
CMGLNVXFZLHDBQ-UHFFFAOYSA-N
SMILES:
c1nc2c(s1)onc2
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.989g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.133g/mol
Monoisotopic Mass:
125.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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