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

CAS: 66495-88-3 Cat. No.: D304323 분자식: C₈H₈O₃ 분자량: 152.15 EC 번호: 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

동의어

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

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

504766746

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 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(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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