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

CAS: 13020-57-0 Cat. No.: H156986 분자식: C₁₃H₁₀O₂ 분자량: 198.22 EC 번호: 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

동의어

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

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 488186141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186141
• 정식 스마일: 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
• 이성체 SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 녹는점(°C): 113-115°C(lit.)
• 분자량: 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