CID 5284434
PubChem CID
5284434
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
304.4 g/mol
Dates
- Create:2005-03-27
Chemical Structure Depiction
sodium;(Z)-octadec-9-enoate
InChI=1S/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;
BCKXLBQYZLBQEK-KVVVOXFISA-M
CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Na+]
C18H33NaO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
304.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
14
Property Name
Exact Mass
Property Value
304.23782457 g/mol
Property Name
Monoisotopic Mass
Property Value
304.23782457 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
228
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
1
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS