Completely hydrolyzed copolymer of acrylonitrile and trivinylcyclohexane ion-exchange resin
General Information
| Mainterm | Completely hydrolyzed copolymer of acrylonitrile and trivinylcyclohexane ion-exchange resin |
| CAS Reg.No.(or other ID) | 109961-42-4 |
| Regnum |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 176139 |
| IUPAC Name | prop-2-enenitrile;1,2,4-tris(ethenyl)cyclohexane |
| InChI | InChI=1S/C12H18.C3H3N/c1-4-10-7-8-11(5-2)12(6-3)9-10;1-2-3-4/h4-6,10-12H,1-3,7-9H2;2H,1H2 |
| InChI Key | OCMKHMXXEGIAMS-UHFFFAOYSA-N |
| Canonical SMILES | C=CC#N.C=CC1CCC(C(C1)C=C)C=C |
| Molecular Formula | C15H21N |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 215.34 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Complexity | 233.0 |
| CACTVS Substructure Key Fingerprint | A A A D c e B y 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 w A A A A A A A A A A A A A A A A H A A A A A A A D Q C B A A A A A A A A A A C Q B C B C A A A g A A A g A A A I A A A A A A g A A A I A A Q A A A A A A g A A A A A E A g M A O g A A A A A A A A A C A A A Q A A C A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 23.8 |
| Monoisotopic Mass | 215.167 |
| Exact Mass | 215.167 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem