3-Hydroxy-4,5-dimethoxybenzaldehyde - ≥98% , CAS No.29865-90-5

CAS: 29865-90-5 Cat. No.: H157421 Fórmula: C₉H₁₀O₄ Peso molecular: 182.18 Beilstein Registry Number: 8(4)2718 Número EC: 624-297-7

CALIDAD & PUREZA ≥98%

Synonyms

BCP28063 | 3-Hydroxy-4,5-dimethoxybenzaldehyde # | AC-4476 | 4,5-dimethoxy-3-hydroxybenzaldehyde | SCHEMBL1050289 | 3,4-Dimethoxy-5-hydroxybenzaldehyde | FT-0600617 | Benzaldehyde, 3-hydroxy-4,5-dimethoxy- | 5-Hydroxy-3,4-dimethoxybenzaldehyde | DTXSID501

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

BCP28063 | 3-Hydroxy-4,5-dimethoxybenzaldehyde # | AC-4476 | 4,5-dimethoxy-3-hydroxybenzaldehyde | SCHEMBL1050289 | 3,4-Dimethoxy-5-hydroxybenzaldehyde | FT-0600617 | Benzaldehyde, 3-hydroxy-4,5-dimethoxy- | 5-Hydroxy-3,4-dimethoxybenzaldehyde | DTXSID501

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488188118

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188118

Sonrisas canónicas

COC1=CC(=CC(=C1OC)O)C=O

IUPAC Name

3-hydroxy-4,5-dimethoxybenzaldehyde

InChIKey

NVLTWXMZECWWPC-UHFFFAOYSA-N

INCHI

1S/C9H10O4/c1-12-8-4-6(5-10)3-7(11)9(8)13-2/h3-5,11H,1-2H3

Isómeros SMILES

COC1=CC(=CC(=C1OC)O)C=O

WGK Alemania

3

Peso molecular

182.18

Beilstein

8(4)2718

Reaxy-Rn

2104147

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104147&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Dimethoxybenzenes Hydroxybenzaldehydes Phenoxy compounds 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: O-dimethoxybenzene - Dimethoxybenzene - 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 180 °C/12 mmHg
• Punto de fusión (°C): 66 °C
• Peso molecular: 182.170 g/mol
• XLogP3: 1.000
• 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