5-Hydroxyisoindolin-1-one - ≥98% , CAS No.252061-66-8

CAS: 252061-66-8 Cat. No.: H192314 Summenformel: C₈H₇NO₂ Molekulargewicht: 149.15 EG-Nummer: 863-310-2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL618639 | 5-HYDROXY-2,3-DIHYDRO-1H-ISOINDOL-1-ONE | 1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy- | 5-hydroxy-2,3-dihydroisoindol-1-one | DTXSID20626706 | 1H-Isoindol-1-one,2,3-dihydro-5-hydroxy | MFCD10000830 | 5-Hydroxyisoindolin-1-one

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL618639 | 5-HYDROXY-2,3-DIHYDRO-1H-ISOINDOL-1-ONE | 1H-Isoindol-1-one, 2,3-dihydro-5-hydroxy- | 5-hydroxy-2,3-dihydroisoindol-1-one | DTXSID20626706 | 1H-Isoindol-1-one,2,3-dihydro-5-hydroxy | MFCD10000830 | 5-Hydroxyisoindolin-1-one

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528762015
• Kanonisches Lächeln: C1C2=C(C=CC(=C2)O)C(=O)N1
• IUPAC Name: 5-hydroxy-2,3-dihydroisoindol-1-one
• InChIKey: NLNNRNIJRFYGFB-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO2/c10-6-1-2-7-5(3-6)4-9-8(7)11/h1-3,10H,4H2,(H,9,11)
• Isomere SMILES: C1C2=C(C=CC(=C2)O)C(=O)N1
• Molekulargewicht: 149.15
• Reaxy-Rn: 8480388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8480388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Isoindoles 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Isoindole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 149.150 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.048 Da
• Monoisotopic Mass: 149.048 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• 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