3-Hydroxybenzamide - ≥98% , CAS No.618-49-5

CAS: 618-49-5 Cat. No.: H404550 Summenformel: C₇H₇NO₂ Molekulargewicht: 137.14 EG-Nummer: 815-329-2

GRADE & PURITY ≥98%

Synonyms

3-OXIDANYLBENZAMIDE | SR-4267 | SY004825 | NGMMGKYJUWYIIG-UHFFFAOYSA-N | InChI=1/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10 | PD181411 | benzamide, 3-hydroxy- | AB01155218-03 | MFCD00017572 | AE-562/40219001 | 75X4NC5TNX | C75901 | EN300-381183 | 3-

Storage

Room temperature

Specifications

Synonyme

3-OXIDANYLBENZAMIDE | SR-4267 | SY004825 | NGMMGKYJUWYIIG-UHFFFAOYSA-N | InChI=1/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10 | PD181411 | benzamide, 3-hydroxy- | AB01155218-03 | MFCD00017572 | AE-562/40219001 | 75X4NC5TNX | C75901 | EN300-381183 | 3-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488189544
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189544
• Kanonisches Lächeln: C1=CC(=CC(=C1)O)C(=O)N
• IUPAC Name: 3-hydroxybenzamide
• InChIKey: NGMMGKYJUWYIIG-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO2/c8-7(10)5-2-1-3-6(9)4-5/h1-4,9H,(H2,8,10)
• Isomere SMILES: C1=CC(=CC(=C1)O)C(=O)N
• Molekulargewicht: 137.14
• Reaxy-Rn: 1859857
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859857&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Schmelzpunkt (°C): 170 °C
• Molekulargewicht: 137.140 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.048 Da
• Monoisotopic Mass: 137.048 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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