1H-Indol-2-ol - ≥98% , CAS No.16990-73-1

CAS: 16990-73-1 Cat. No.: H694115 Molecular Weight: 133.15 EC Number: 241-069-9 PubChem CID: 65531

GRADE & PURITY ≥98%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C=C(N2)O
• IUPAC Name: 1H-indol-2-ol
• InChIKey: JHFAEUICJHBVHB-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-5,9-10H
• Isomeric SMILES: C1=CC=C2C(=C1)C=C(N2)O
• Alternate CAS: 16990-73-1
• PubChem CID: 65531
• MeSH Entry Terms: 1,3-dihydro-2h-indol-2-one;1,3-dihydroindol-2-one;1h-indol-2-ol;2-hydroxyindole;2-indolinone;2-oxindole;2-oxindole perchlorate;2h-indol-2-one, 1,3-dihydro-;diclofenac impurity E;indol-2(3h)-one;indol-2-ol;indoline-2-one;oxindole
• Molecular Weight: 133.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 133.150 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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