4-Methoxy-3-methylphenol - ≥96% , CAS No.14786-82-4

CAS: 14786-82-4 Cat. No.: M587321 분자식: C₈H₁₀O₂ 분자량: 138.17

GRADE & PURITY ≥96%

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

사양 및 순도

≥96%

보관 조건

Store at 2-8°C,Argon charged,Desiccated

배송

Wet ice

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순수함

≥96%

이름과 식별자

정식 스마일

CC1=C(C=CC(=C1)O)OC

IUPAC Name

4-methoxy-3-methylphenol

InChIKey

ILASIIGKRFKNQC-UHFFFAOYSA-N

INCHI

1S/C8H10O2/c1-6-5-7(9)3-4-8(6)10-2/h3-5,9H,1-2H3

이성체 SMILES

CC1=C(C=CC(=C1)O)OC

분자량

138.17

Reaxy-Rn

2043682

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043682&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: 4-alkoxyphenols Phenoxy compounds Methoxybenzenes Meta cresols Anisoles Toluenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - 4-alkoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - M-cresol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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: 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

화학 및 물리적 특성

• 분자량: 138.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.068 Da
• Monoisotopic Mass: 138.068 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• 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