CID 60747590
PubChem CID
60747590
Structure
Molecular Formula
Status
Non-live
Molecular Weight
235.30 g/mol
Dates
- Create:2012-10-18
Chemical Structure Depiction
2-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
InChI=1S/C9H17NO4S/c1-10(3-4-11)9(12)6-8-2-5-15(13,14)7-8/h8,11H,2-7H2,1H3
XEKRKSZMIUSKTE-UHFFFAOYSA-N
CN(CCO)C(=O)CC1CCS(=O)(=O)C1
C9H17NO4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
235.30 g/mol
Property Name
XLogP3-AA
Property Value
-1.3
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
235.08782920 g/mol
Property Name
Monoisotopic Mass
Property Value
235.08782920 g/mol
Property Name
Topological Polar Surface Area
Property Value
83.1 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
319
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
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
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
Old substance
Old substance
CONTENTS