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138905-64-3 | 4H,6H-Thieno[3,4-c]furan, 4-methyl-, 5,5-dioxide
CAS No: 138905-64-3 Catalog No: AG0019SL MDL No:
Product Description
Catalog Number:
AG0019SL
Chemical Name:
4H,6H-Thieno[3,4-c]furan, 4-methyl-, 5,5-dioxide
CAS Number:
138905-64-3
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
IUPAC Name:
4-methyl-4,6-dihydrothieno[3,4-c]furan 5,5-dioxide
InChI:
InChI=1S/C7H8O3S/c1-5-7-3-10-2-6(7)4-11(5,8)9/h2-3,5H,4H2,1H3
InChI Key:
ATZWINGRMXCCBP-UHFFFAOYSA-N
SMILES:
CC1c2cocc2CS1(=O)=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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