3-Hydroxybenzophenone - ≥98%(GC) , CAS No.13020-57-0

CAS: 13020-57-0 Cat. No.: H156986 分子式: C₁₃H₁₀O₂ 分子量: 198.22 EC番号: 235-879-1

GRADE & PURITY ≥98%(GC)

Synonyms

3-Hydroxybenzophenone | 3-HYDROXY-BENZOPHENONE | m-Hydroxybenzophenone | (3-Hydroxyphenyl)(phenyl)methanone # | H1518 | FT-0615834 | (3-Hydroxy-phenyl)-phenyl-methanone | (3-hydroxyphenyl)-phenylmethanone | AQ-358/43417404 | BDBM50060997 | SY106406 | DTXS

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

3-Hydroxybenzophenone | 3-HYDROXY-BENZOPHENONE | m-Hydroxybenzophenone | (3-Hydroxyphenyl)(phenyl)methanone # | H1518 | FT-0615834 | (3-Hydroxy-phenyl)-phenyl-methanone | (3-hydroxyphenyl)-phenylmethanone | AQ-358/43417404 | BDBM50060997 | SY106406 | DTXS

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488186141
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488186141
• カノニカル・スマイル: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O
• IUPAC Name: (3-hydroxyphenyl)-phenylmethanone
• InChIKey: SHULEACXTONYPS-UHFFFAOYSA-N
• INCHI: 1S/C13H10O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,14H
• 異性体SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O
• 分子量: 198.22
• Reaxy-Rn: 1869703
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869703&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketone - 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 benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

関連ターゲット（非人間）

E2 Human papillomavirus regulatory protein E2 (38 Activities)

Discover Target: E2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 融点（°C）: 113-115°C(lit.)
• 分子量: 198.220 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 219.000
• 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