POLYSTYRENE-B-POLYBUTADIENE-B-POLYSTYRENE , CAS No.9003-55-8

CAS: 9003-55-8 Cat. No.: P304889 EC Number: 618-370-2 PubChem CID: 62697

Synonyms

Plioflex|Butadiene-styrene rubber|66070-58-4|9003-55-8|buta-1,3-diene;styrene|styrene-butadiene|Duranit|Andrez|Vestyron HI|Dienol S|Pliolite S5|Litex CA|Histyrene S 6F|Pliolite 55B|Pliolite S 5A|Pliolite S 5D|Pliolite S-5B|Pliolite S-5C|Pliolite S-5E|Benz

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Plioflex | Butadiene-styrene rubber | 66070-58-4 | 9003-55-8 | buta-1, 3-diene;styrene | styrene-butadiene | Duranit | Andrez | Vestyron HI | Dienol S | Pliolite S5 | Litex CA | Histyrene S 6F | Pliolite 55B | Pliolite S 5A | Pliolite S 5D | Pliolite S-5B | Pliolite S-5C | Pliolite S-5E | Benz

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C=CC=C.C=CC1=CC=CC=C1
• IUPAC Name: buta-1,3-diene;styrene
• InChIKey: MTAZNLWOLGHBHU-UHFFFAOYSA-N
• INCHI: 1S/C8H8.C4H6/c1-2-8-6-4-3-5-7-8;1-3-4-2/h2-7H,1H2;3-4H,1-2H2
• Isomeric SMILES: C=CC=C.C=CC1=CC=CC=C1
• PubChem CID: 62697

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Aromatic hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Not available
• Substituents: Styrene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 158.240 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 158.11 Da
• Monoisotopic Mass: 158.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 89.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

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