3,4-Dihydroxy Styrene - ≥97%, mix TBC as stabilizer , CAS No.6053-02-7

CAS: 6053-02-7 Cat. No.: D695973 분자식: C₈H₈O₂ 분자량: 136.15 PubChem CID: 151398

GRADE & PURITY ≥97%, mix TBC as stabilizer

Synonyms

3,4-Styrenediol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

3,4-Styrenediol

사양 및 순도

≥97%, mix TBC as stabilizer

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥97%

제품 특성

• ALogP: 2

이름과 식별자

• 정식 스마일: C=CC1=CC(=C(C=C1)O)O
• IUPAC Name: 4-ethenylbenzene-1,2-diol
• InChIKey: FBTSUTGMWBDAAC-UHFFFAOYSA-N
• INCHI: 1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2
• 이성체 SMILES: C=CC1=CC(=C(C=C1)O)O
• PubChem CID: 151398
• 분자량: 136.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: Styrenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: Caffeate derivatives

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

화학 및 물리적 특성

• 감도: Moisture sensitive
• 분자량: 136.150 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.052 Da
• Monoisotopic Mass: 136.052 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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