CID 6069426
PubChem CID
6069426
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
258.25 g/mol
Dates
- Create:2005-09-14
Chemical Structure Depiction
(Z)-ethoxy-[(5Z)-5-[ethoxy(oxido)methylidene]-3,4-dioxothiolan-2-ylidene]methanolate
InChI=1S/C10H12O6S/c1-3-15-9(13)7-5(11)6(12)8(17-7)10(14)16-4-2/h13-14H,3-4H2,1-2H3/p-2/b9-7-,10-8-
WGXYDZOLBGAABB-XOHWUJONSA-L
CCO/C(=C/1\S/C(=C(\OCC)/[O-])/C(=O)C1=O)/[O-]
C10H10O6S-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
258.25 g/mol
Property Name
XLogP3-AA
Property Value
2.3
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
258.01980921 g/mol
Property Name
Monoisotopic Mass
Property Value
258.01980921 g/mol
Property Name
Topological Polar Surface Area
Property Value
124 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
-2
Property Name
Complexity
Property Value
371
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
2
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS