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1779126-20-3 | Ethyl 1,1-dioxo-1lambda(6)-thiane-4-carboxylate
CAS No: 1779126-20-3 Catalog No: AG01F9WZ MDL No:
Product Description
Catalog Number:
AG01F9WZ
Chemical Name:
Ethyl 1,1-dioxo-1lambda(6)-thiane-4-carboxylate
CAS Number:
1779126-20-3
Molecular Formula:
C8H14O4S
Molecular Weight:
206.2594
IUPAC Name:
ethyl 1,1-dioxothiane-4-carboxylate
InChI:
InChI=1S/C8H14O4S/c1-2-12-8(9)7-3-5-13(10,11)6-4-7/h7H,2-6H2,1H3
InChI Key:
DDWLBUFGQPSIDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCS(=O)(=O)CC1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.256g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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