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27529-59-5 | Thiophene, tetrahydro-3,4-dimethoxy-, 1,1-dioxide
CAS No: 27529-59-5 Catalog No: AG002TZZ MDL No:
Product Description
Catalog Number:
AG002TZZ
Chemical Name:
Thiophene, tetrahydro-3,4-dimethoxy-, 1,1-dioxide
CAS Number:
27529-59-5
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
IUPAC Name:
3,4-dimethoxythiolane 1,1-dioxide
InChI:
InChI=1S/C6H12O4S/c1-9-5-3-11(7,8)4-6(5)10-2/h5-6H,3-4H2,1-2H3
InChI Key:
OSDHRUQHPRZLJH-UHFFFAOYSA-N
SMILES:
COC1CS(=O)(=O)CC1OC
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.218g/mol
Monoisotopic Mass:
180.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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