DISODIUM DECANEDIOATE
General Information
| Mainterm | DISODIUM DECANEDIOATE |
| CAS Reg.No.(or other ID) | 17265-14-4 |
| Regnum |
178.3570 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 134734 |
| IUPAC Name | disodium;decanedioate |
| InChI | InChI=1S/C10H18O4.2Na/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h1-8H2,(H,11,12)(H,13,14);;/q;2*+1/p-2 |
| InChI Key | NCXUIEDQTCQZRK-UHFFFAOYSA-L |
| Canonical SMILES | C(CCCCC(=O)[O-])CCCC(=O)[O-].[Na+].[Na+] |
| Molecular Formula | C10H16Na2O4 |
| Wikipedia | disodium sebacate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 246.214 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Complexity | 146.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B w O D A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C A C A g A A A C A A A A A A I A A C Q C A A A A A A A A A A A A A E A A A A A A B I A A A A A A A A E A A A A A A G I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 80.3 |
| Monoisotopic Mass | 246.084 |
| Exact Mass | 246.084 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem