Azo-Resveratrol , CAS No.1393556-48-3

CAS: 1393556-48-3 Cat. No.: A355202 분자식: C₁₂H₁₀N₂O₃ 분자량: 230.22

Synonyms

5-[(1E)-2-(4-hydroxyphenyl)diazenyl]-1,3-benzenediol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

5-[(1E)-2-(4-hydroxyphenyl)diazenyl]-1,3-benzenediol

보관 조건

Store at 2-8°C

배송

Wet ice

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이름과 식별자

정식 스마일

C1=CC(=CC=C1N=NC2=CC(=CC(=C2)O)O)O

IUPAC Name

5-[(4-hydroxyphenyl)diazenyl]benzene-1,3-diol

InChIKey

AVZQUPWHMPXTCT-UHFFFAOYSA-N

INCHI

1S/C12H10N2O3/c15-10-3-1-8(2-4-10)13-14-9-5-11(16)7-12(17)6-9/h1-7,15-17H

이성체 SMILES

C1=CC(=CC=C1N=NC2=CC(=CC(=C2)O)O)O

분자량

230.22

Reaxy-Rn

45200236

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45200236&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 230.220 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.069 Da
• Monoisotopic Mass: 230.069 Da
• Topological Polar Surface Area: 85.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 254.000
• 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

자주 묻는 질문

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1393556-48-3, the molecular formula is C12H10N2O3, and the molecular weight is 230.22 g/mol. InChIKey AVZQUPWHMPXTCT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.