5-Methoxyresorcinol - ≥95%(GC) , CAS No.2174-64-3

CAS: 2174-64-3 Cat. No.: M138499 분자식: CH₃OC₆H₃-1,3-(OH)₂ 분자량: 140.14 Beilstein Registry Number: 1423578 EC 번호: 218-532-9

GRADE & PURITY ≥95%(GC)

Synonyms

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

Storage

Protected from light,Room temperature

Shipped In

Normal

개요

Kinetics of the aroxyl radical-scavenging action of 5-methoxyresorcinol has been investigated. The kinetics of reaction of 5,7-diisopropyl-tocopheroxyl radical (Toc) with 5-methoxyresorcinol has been measured by stopped-flow spectrophotometer.

Specifications

동의어

AC-5487 | M1413 | DTXSID9025112 | 5-Methoxyresorcinol | FT-0620576 | InChI=1/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H | J-014267 | SR-01000944713 | Cellon | Ethene, chlorotrifluoro- | AS-40131 | MONO-O-METHYLPHLOROGLUCINOL | CHEBI:136806 | MFCD00002285

사양 및 순도

≥95%(GC)

보관 조건

Protected from light,Room temperature

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 508810027
• 정식 스마일: COC1=CC(=CC(=C1)O)O
• IUPAC Name: 5-methoxybenzene-1,3-diol
• InChIKey: HDVRLUFGYQYLFJ-UHFFFAOYSA-N
• INCHI: 1S/C7H8O3/c1-10-7-3-5(8)2-6(9)4-7/h2-4,8-9H,1H3
• 이성체 SMILES: COC1=CC(=CC(=C1)O)O
• WGK 독일: 3
• 분자량: 140.14
• Beilstein: 1423578
• Reaxy-Rn: 1423578
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423578&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Methoxybenzene - Resorcinol - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a small molecule

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

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Discover Target: TDP1

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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관련 대상(비인간)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water.
• 감도: Light sensitive
• 끓는점(°C): 213°C/16mmHg
• 녹는점(°C): 78-80 °C
• 분자량: 140.140 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.047 Da
• Monoisotopic Mass: 140.047 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.000
• 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