Compound Summary for: CID 8724

Molecular Formula: C3H5NaO2   Molecular Weight: 96.060369   InChIKey: JXKPEJDQGNYQSM-UHFFFAOYSA-M
Compound Information
CID 8724
Create Date: 2005-03-27
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 96.060369 [g/mol]
Molecular FormulaC3H5NaO2
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count0
Exact Mass96.018724
MonoIsotopic Mass96.018724
Topological Polar Surface Area40.1
Heavy Atom Count6
Formal Charge0
Complexity34.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Namesodium;propanoate
InChIInChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKeyJXKPEJDQGNYQSM-UHFFFAOYSA-M
Canonical SMILESCCC(=O)[O-].[Na+]
Isomeric SMILESCCC(=O)[O-].[Na+]
Old Version Substance Information