4-Methoxysalicylamide - ≥98% , CAS No.6745-77-3

CAS: 6745-77-3 Cat. No.: M140197 Fórmula: C₈H₉NO₃ Peso molecular: 167.16 Beilstein Registry Number: 10(3)1376 Número EC: 677-534-1

CALIDAD & PUREZA ≥98%

Synonyms

SCHEMBL1447373 | MFCD03840504 | A15745 | BCYRZPCPWKCINY-UHFFFAOYSA-N | AKOS000207602 | EN300-11062 | BCP27145 | 2-Hydroxy-4-methoxybenzamide | 2-Hydroxy-4-methoxy-benzamide | Pyramidamycin A | 4-Methoxysalicylamide | 4-methoxy salicylamide | FT-0651473 |

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

SCHEMBL1447373 | MFCD03840504 | A15745 | BCYRZPCPWKCINY-UHFFFAOYSA-N | AKOS000207602 | EN300-11062 | BCP27145 | 2-Hydroxy-4-methoxybenzamide | 2-Hydroxy-4-methoxy-benzamide | Pyramidamycin A | 4-Methoxysalicylamide | 4-methoxy salicylamide | FT-0651473 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504763155

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763155

Sonrisas canónicas

COC1=CC(=C(C=C1)C(=O)N)O

IUPAC Name

2-hydroxy-4-methoxybenzamide

InChIKey

BCYRZPCPWKCINY-UHFFFAOYSA-N

INCHI

1S/C8H9NO3/c1-12-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)

Isómeros SMILES

COC1=CC(=C(C=C1)C(=O)N)O

Peso molecular

167.16

Beilstein

10(3)1376

Reaxy-Rn

1211192

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1211192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: Methoxyphenols Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Primary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylamide - Methoxyphenol - Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• 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
• Punto de fusión (°C): 156.0-160.0℃
• Peso molecular: 167.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 12
• 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