2-Vinylterephthalic acid - ≥97% , CAS No.216431-29-7

CAS: 216431-29-7 Cat. No.: V588145 分子式: C₁₀H₈O₄ 分子量: 192.17 PubChem CID: 21087698

グレード＆純度 ≥97%

Synonyms

SCHEMBL605638 | 2-Vinylterephthalicacid | AS-64441 | 2-ethenylterephthalic acid | 2-Vinylterephthalic acid | DTXSID00610648 | C74062 | A911397 | 1,4-Benzenedicarboxylic acid, 2-ethenyl- | MFCD20641979 | 2-Ethenylbenzene-1,4-dicarboxylic acid | AKOS0281100

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

仕様

同義語

SCHEMBL605638 | 2-Vinylterephthalicacid | AS-64441 | 2-ethenylterephthalic acid | 2-Vinylterephthalic acid | DTXSID00610648 | C74062 | A911397 | 1,4-Benzenedicarboxylic acid, 2-ethenyl- | MFCD20641979 | 2-Ethenylbenzene-1,4-dicarboxylic acid | AKOS0281100

仕様と純度

≥97%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

508808029

カノニカル・スマイル

C=CC1=C(C=CC(=C1)C(=O)O)C(=O)O

IUPAC Name

2-ethenylterephthalic acid

InChIKey

CFCMNKJCKDXHHO-UHFFFAOYSA-N

INCHI

1S/C10H8O4/c1-2-6-5-7(9(11)12)3-4-8(6)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)

異性体SMILES

C=CC1=C(C=CC(=C1)C(=O)O)C(=O)O

PubChem CID

21087698

分子量

192.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 P-phthalic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives
• Direct Parent: P-phthalic acid and derivatives
• Alternative Parents: Benzoic acids Styrenes Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para_phthalic_acid - Benzoic acid - Styrene - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
• 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

化学的性質と物理的性質

• 分子量: 192.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 192.042 Da
• Monoisotopic Mass: 192.042 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 259.000
• 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: 1