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156144-31-9 | Thieno[3,4-d]oxazole, 4,6-dihydro-2-phenyl-, 5,5-dioxide
CAS No: 156144-31-9 Catalog No: AG001OJV MDL No:
Product Description
Catalog Number:
AG001OJV
Chemical Name:
Thieno[3,4-d]oxazole, 4,6-dihydro-2-phenyl-, 5,5-dioxide
CAS Number:
156144-31-9
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
IUPAC Name:
2-phenyl-4,6-dihydrothieno[3,4-d][1,3]oxazole 5,5-dioxide
InChI:
InChI=1S/C11H9NO3S/c13-16(14)6-9-10(7-16)15-11(12-9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
DNZZZDVJHVGCTC-UHFFFAOYSA-N
SMILES:
O=S1(=O)Cc2c(C1)nc(o2)c1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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