2-Hydroxy-4-methoxybenzonitrile - ≥95% , CAS No.39835-11-5

CAS: 39835-11-5 Cat. No.: H184290 Formule: C₈H₇NO₂ Poids moléculaire: 149.15 Numéro CE: 962-509-2

GRADE & PURITY ≥95%

Synonyms

AKOS000277680 | 4-Cyano-3-hydroxyanisole | Benzonitrile, 2-hydroxy-4-methoxy- | MFCD08567959 | 2-cyano-5-methoxyphenol | A824760 | AS-18340 | 2-HYDROXY-4-METHOXYBENZONITRILE | 2-hydroxy-4-methoxy-benzonitrile | AB45806 | J-509632 | SCHEMBL976050 | FDRYADK

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

AKOS000277680 | 4-Cyano-3-hydroxyanisole | Benzonitrile, 2-hydroxy-4-methoxy- | MFCD08567959 | 2-cyano-5-methoxyphenol | A824760 | AS-18340 | 2-HYDROXY-4-METHOXYBENZONITRILE | 2-hydroxy-4-methoxy-benzonitrile | AB45806 | J-509632 | SCHEMBL976050 | FDRYADK

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528757545
• Sourires canoniques: COC1=CC(=C(C=C1)C#N)O
• IUPAC Name: 2-hydroxy-4-methoxybenzonitrile
• InChIKey: FDRYADKKCJHYJU-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO2/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4,10H,1H3
• Isomères SMILES: COC1=CC(=C(C=C1)C#N)O
• Poids moléculaire: 149.15
• Reaxy-Rn: 2089862
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089862&ln=

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: Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Nitriles Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 149.150 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 149.048 Da
• Monoisotopic Mass: 149.048 Da
• Topological Polar Surface Area: 53.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 172.000
• 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