HYDROGENATED BUTADIENE/ACRYLONITRILE COPOLYMER
General Information
| Mainterm | HYDROGENATED BUTADIENE/ACRYLONITRILE COPOLYMER |
| CAS Reg.No.(or other ID) | 88254-10-8 |
| Regnum |
177.2600 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 155116 |
| IUPAC Name | buta-1,3-diene;prop-2-enenitrile |
| InChI | InChI=1S/C4H6.C3H3N/c1-3-4-2;1-2-3-4/h3-4H,1-2H2;2H,1H2 |
| InChI Key | NTXGQCSETZTARF-UHFFFAOYSA-N |
| Canonical SMILES | C=CC=C.C=CC#N |
| Molecular Formula | C7H9N |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 107.156 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Complexity | 75.9 |
| CACTVS Substructure Key Fingerprint | A A A D c c B 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 A A A A A A A A H A A A A A A A C A 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 A A A A I A A A A A A A I A A A A A Q 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 A A A A A = = |
| Topological Polar Surface Area | 23.8 |
| Monoisotopic Mass | 107.073 |
| Exact Mass | 107.073 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| 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 | 2 |
From Pubchem