Dihydroxy(oxo)titanium , CAS No.6373650

CAS: 6373650 Cat. No.: D1072531 Molecular Weight: 97.881

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: O[Ti](=O)O
• IUPAC Name: dihydroxy(oxo)titanium
• InChIKey: ZDNBCKZJXCUXCR-UHFFFAOYSA-L
• INCHI: 1S/2H2O.O.Ti/h2*1H2;;/q;;;+2/p-2
• Molecular Weight: 97.881

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Transition metal organides
      • Subclass Transition metal oxides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Transition metal organides
• Subclass: Transition metal oxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Transition metal oxides
• Alternative Parents: Inorganic oxides
• Molecular Framework: Not available
• Substituents: Transition metal oxide - Inorganic oxide
• Description: This compound belongs to the class of inorganic compounds known as transition metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a transition metal.
• 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

• Molecular Weight: 97.881 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 97.9483 Da
• Monoisotopic Mass: 97.9483 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 26.300
• 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

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