2-Hydroxy-4,5-dimethoxybenzaldehyde - ≥97% , CAS No.14382-91-3

CAS: 14382-91-3 Cat. No.: H725340 분자식: C₉H₁₀O₄ 분자량: 182.17 EC 번호: 840-864-3 PubChem CID: 10986908

GRADE & PURITY ≥97%

Synonyms

4,5-Dimethoxy-2-hydroxybenzaldehyde

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

4,5-Dimethoxy-2-hydroxybenzaldehyde

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: COC1=C(C=C(C(=C1)C=O)O)OC
• IUPAC Name: 2-hydroxy-4,5-dimethoxybenzaldehyde
• InChIKey: XIKGRPKDQDFXLF-UHFFFAOYSA-N
• INCHI: 1S/C9H10O4/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-5,11H,1-2H3
• 이성체 SMILES: COC1=C(C=C(C(=C1)C=O)O)OC
• PubChem CID: 10986908
• 분자량: 182.17

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: Dimethoxybenzenes Hydroxybenzaldehydes 4-alkoxyphenols Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - O-dimethoxybenzene - Dimethoxybenzene - 4-alkoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Vinylogous acid - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aldehyde - 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

관련 대상(비인간)

Globisporangium ultimum (223 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Rhizomucor miehei (120 Activities)

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Candida albicans (78123 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: light & air sensitive
• 분자량: 182.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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