Barium i-propoxide - dry powder , CAS No.24363-37-9

CAS: 24363-37-9 Cat. No.: B282982 Molecular Weight: 255.52 EC Number: 628-222-9

GRADE & PURITY dry powder

Synonyms

ZAA36337 | CPUJSIVIXCTVEI-UHFFFAOYSA-N | AKOS025294976 | barium(2+);propan-2-olate | DTXSID40422005 | Barium isopropoxide | barium(II) isopropoxide | SCHEMBL72736

Storage

Room temperature

Specifications

Synonyms

ZAA36337 | CPUJSIVIXCTVEI-UHFFFAOYSA-N | AKOS025294976 | barium(2+);propan-2-olate | DTXSID40422005 | Barium isopropoxide | barium(II) isopropoxide | SCHEMBL72736

Specifications & Purity

dry powder

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC(C)[O-].CC(C)[O-].[Ba+2]
• IUPAC Name: barium(2+);propan-2-olate
• InChIKey: CPUJSIVIXCTVEI-UHFFFAOYSA-N
• INCHI: 1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
• Isomeric SMILES: CC(C)[O-].CC(C)[O-].[Ba+2]
• Molecular Weight: 255.52
• Reaxy-Rn: 16475030
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16475030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Organic zwitterions Organic salts Hydrocarbon derivatives Alkoxides
• Molecular Framework: Not available
• Substituents: Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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: moisture sensitive
• Molecular Weight: 255.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 256.005 Da
• Monoisotopic Mass: 256.005 Da
• Topological Polar Surface Area: 46.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 10.800
• 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: 3

XLogP3