2-Hydroxy-5-iodo-3-methoxybenzaldehyde - ≥97% , CAS No.7359-14-0

CAS: 7359-14-0 Cat. No.: H710111 Numero EC: 676-923-3 PubChem CID: 7020611

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

2-hydroxy-5-iodo-3-methoxybenzaldehyde

InChIKey

KVQIQUILJIOMHJ-UHFFFAOYSA-N

INCHI

1S/C8H7IO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3

Isomeri SMILES

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

CAS alternativo

7359-14-0

PubChem CID

7020611

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds P-iodophenols Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Alkyl aryl ethers Aryl iodides Vinylogous acids Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - 4-halophenol - Phenoxy compound - 4-iodophenol - Phenol ether - Methoxybenzene - Aryl-aldehyde - Alkyl aryl ether - Iodobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl iodide - Vinylogous acid - Ether - Aldehyde - Organohalogen compound - Organoiodide - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 278.040 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 277.944 Da
• Monoisotopic Mass: 277.944 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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