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119694-50-7 | 4H,6H-Thieno[3,4-c]furan, 5,5-dioxide
CAS No: 119694-50-7 Catalog No: AG000PGC MDL No:
Product Description
Catalog Number:
AG000PGC
Chemical Name:
4H,6H-Thieno[3,4-c]furan, 5,5-dioxide
CAS Number:
119694-50-7
Molecular Formula:
C6H6O3S
Molecular Weight:
158.1750
IUPAC Name:
4,6-dihydrothieno[3,4-c]furan 5,5-dioxide
InChI:
InChI=1S/C6H6O3S/c7-10(8)3-5-1-9-2-6(5)4-10/h1-2H,3-4H2
InChI Key:
AOLFACTYFNVETR-UHFFFAOYSA-N
SMILES:
O=S1(=O)Cc2c(C1)coc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.171g/mol
Monoisotopic Mass:
158.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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