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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanol, niobium(5+)salt (9CI)
1019340-49-8 structure

2-Propanol, niobium(5+)salt (9CI)

Iupac Name:ethyl 4-(2,4-dimethylphenyl)-2,4-dioxobutanoate
CAS No.:1019340-49-8
Molecular Weight:248.278
Molecular Formula:C6H11NO3 (isomer)
Names and Identifiers
Synonyms

Isopropylalcohol, niobium(5+) salt (8CI) Niobium isopropoxide Niobium isopropoxide (Nb(OC3H7)5) (6CI,7CI) Niobium pentaisopropoxide Niobium(5+) isopropoxide Niobium(V) isopropoxide Pentaisopropoxyniobium

Inchi
InChI=1S/C14H16O4/c1-4-18-14(17)13(16)8-12(15)11-6-5-9(2)7-10(11)3/h5-7H,4,8H2,1-3H3
InChkey
XYVHEIVBAQRIGE-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)C(=O)CC(=O)C1=C(C=C(C=C1)C)C
Properties
Density
0.887 /cm3
Boiling Point
403.5°C at 760 mmHg
Flash Point
114.3°C
Safety and Handling
Sensitive
Moisture Sensitive
Computational chemical data
  • Molecular Weight:248.278g/mol
  • Molecular Formula:C6H11NO3
  • Compound Is Canonicalized:True
  • Exact Mass:248.105
  • Monoisotopic Mass:248.105
  • Complexity:335
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:60.4A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADASgmAIyCIAABACI AqDSCAICAAAkAAAIiAFAAMgIIDKIFRSCIQAkgAAIiYeLyPCOwAACAAAQAACAAAQAACAAAAAAAAAA AA==
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