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Home> Encyclopedia > Hot Product Listed 2   > 2-Propanol, niobium(5+)salt (9CI)
109299-92-5 structure

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

Iupac Name:3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CAS No.:109299-92-5
Molecular Weight:155.153
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/C7H9NO3/c1-2-3-6(9)8-4-5-11-7(8)10/h2-3H,4-5H2,1H3/b3-2+
InChkey
PNPVETUIPHVXGI-NSCUHMNNSA-N
Canonical Smiles
CC=CC(=O)N1CCOC1=O
Isomers Smiles
C/C=C/C(=O)N1CCOC1=O
Properties
Density
0.887 /cm3
Melting Point
37-41 °C
Boiling Point
403.5°C at 760 mmHg
Vapour
0.142mmHg at 25°C
Refractive Index
1.513
Flash Point
114.3°C
HS Code
2934999090
Safety and Handling
Safety Statements
24/25
Sensitive
Moisture Sensitive
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:155.153g/mol
  • Molecular Formula:C6H11NO3
  • Compound Is Canonicalized:True
  • Exact Mass:155.058
  • Monoisotopic Mass:155.058
  • Complexity:210
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.6A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAAAAAACADhgAYCCAMABACI ACFSGACAAAAAAAAICAAIAEACAAAAAQAJAAAABiCQAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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