POLY(ACRYLIC ACID-CO-ACRYLONITRILE-CO-BUTADIENE)
General Information
| Mainterm | POLY(ACRYLIC ACID-CO-ACRYLONITRILE-CO-BUTADIENE) |
| CAS Reg.No.(or other ID) | 25265-19-4 |
| Regnum |
175.105 176.180 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 168343 |
| IUPAC Name | buta-1,3-diene;prop-2-enenitrile;prop-2-enoic acid |
| InChI | InChI=1S/C4H6.C3H3N.C3H4O2/c1-3-4-2;1-2-3-4;1-2-3(4)5/h3-4H,1-2H2;2H,1H2;2H,1H2,(H,4,5) |
| InChI Key | LTMGJWZFKVPEBX-UHFFFAOYSA-N |
| Canonical SMILES | C=CC=C.C=CC#N.C=CC(=O)O |
| Molecular Formula | C10H13NO2 |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 179.219 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Complexity | 132.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B y M 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 A H g A A C A A A C A C B g A A A C A A A A g C Y B C D S C A A g A A A A A A A I A A A A A E A I B A A A A Q A A A A A A A A A A E I 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 = = |
| Topological Polar Surface Area | 61.1 |
| Monoisotopic Mass | 179.095 |
| Exact Mass | 179.095 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| 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