CID 60747382
PubChem CID
60747382
Structure
Molecular Formula
Status
Non-live
Molecular Weight
249.33 g/mol
Dates
- Create:2012-10-18
Chemical Structure Depiction
2-(1,1-dioxothiolan-3-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
InChI=1S/C10H19NO4S/c1-2-11(4-5-12)10(13)7-9-3-6-16(14,15)8-9/h9,12H,2-8H2,1H3
WZKBIXYTOQRETC-UHFFFAOYSA-N
CCN(CCO)C(=O)CC1CCS(=O)(=O)C1
C10H19NO4S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
249.33 g/mol
Property Name
XLogP3-AA
Property Value
-0.9
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
5
Property Name
Exact Mass
Property Value
249.10347926 g/mol
Property Name
Monoisotopic Mass
Property Value
249.10347926 g/mol
Property Name
Topological Polar Surface Area
Property Value
83.1 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
333
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