POLY(ACRYLONITRILE-CO-ALPHA-METHYLSTYRENE)
General Information
| Mainterm | POLY(ACRYLONITRILE-CO-ALPHA-METHYLSTYRENE) |
| CAS Reg.No.(or other ID) | 25747-74-4 |
| Regnum |
175.105 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 168415 |
| IUPAC Name | prop-2-enenitrile;prop-1-en-2-ylbenzene |
| InChI | InChI=1S/C9H10.C3H3N/c1-8(2)9-6-4-3-5-7-9;1-2-3-4/h3-7H,1H2,2H3;2H,1H2 |
| InChI Key | VNNBZUFJRRODHO-UHFFFAOYSA-N |
| Canonical SMILES | CC(=C)C1=CC=CC=C1.C=CC#N |
| Molecular Formula | C12H13N |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 171.243 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Complexity | 152.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c 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 B A A A A H A A A A A A A D A C B G A A y A I A A A A C Q B i B C A A A i A A A g A A A I i A A A A I g I I C K A E R C A I A A g g A A I i A c A g I A O 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 | 171.105 |
| Exact Mass | 171.105 |
| 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 | 2 |
From Pubchem