3-Hydroxy-2-methoxybenzaldehyde - ≥95% , CAS No.66495-88-3

CAS: 66495-88-3 Cat. No.: D304323 分子式: C₈H₈O₃ 分子量: 152.15 EC番号: 866-526-5

GRADE & PURITY ≥95%

Synonyms

MB03871 | AKOS000119267 | Z199439532 | GRIWJVSWLJHHEM-UHFFFAOYSA-N | hydroxy-methoxy-benzaldehyde | 3-Hydroxy-2-methoxybenzaldehyde-d3 | EN300-24649 | A867445 | PD181399 | BDBM50266963 | DTXSID70473025 | SCHEMBL470709 | 3-hydroxy-2-methoxybenzaldehyde | 3

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

同義語

MB03871 | AKOS000119267 | Z199439532 | GRIWJVSWLJHHEM-UHFFFAOYSA-N | hydroxy-methoxy-benzaldehyde | 3-Hydroxy-2-methoxybenzaldehyde-d3 | EN300-24649 | A867445 | PD181399 | BDBM50266963 | DTXSID70473025 | SCHEMBL470709 | 3-hydroxy-2-methoxybenzaldehyde | 3

仕様と純度

≥95%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

504766746

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504766746

カノニカル・スマイル

COC1=C(C=CC=C1O)C=O

IUPAC Name

3-hydroxy-2-methoxybenzaldehyde

InChIKey

GRIWJVSWLJHHEM-UHFFFAOYSA-N

INCHI

1S/C8H8O3/c1-11-8-6(5-9)3-2-4-7(8)10/h2-5,10H,1H3

異性体SMILES

COC1=C(C=CC=C1O)C=O

分子量

152.15

Reaxy-Rn

2574528

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2574528&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Monocyclic benzene moiety - Ether - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: 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

関連ターゲット（人間）

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 152.150 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 135.000
• 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