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Home> Hot Product Listed C   > cobalt(2+) neodecanoate
3577-87-5 structure

cobalt(2+) neodecanoate

Iupac Name:methyl diphenyl phosphite
CAS No.:3577-87-5
Molecular Weight:248.218
Molecular Formula:C12H13NO3S (isomer)
Names and Identifiers
Synonyms

Einecs 257-798-0 Neodecanoic acid, cobalt(2+) salt Neodecanoic acid, cobalt(2+) salt (2:1)

Inchi
InChI=1S/C13H13O3P/c1-14-17(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3
InChkey
NYCZNDFWFCCTPA-UHFFFAOYSA-N
Canonical Smiles
COP(OC1=CC=CC=C1)OC2=CC=CC=C2
Properties
Flash Point
128°C
Safety and Handling
Safety Statements
RIDADR UN3278HazardClass 6.1PackingGroup III
HazardClass
6.1
PackingGroup
III
Transport
UN3278
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:248.218g/mol
  • Molecular Formula:C12H13NO3S
  • Compound Is Canonicalized:True
  • Exact Mass:248.06
  • Monoisotopic Mass:248.06
  • Complexity:181
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:27.7A^2
  • Heavy Atom Count:17
  • 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: AAADccBwMAIAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAAACAACASAkAIyBoAAARCA ACBCAAACAAAgIAAIiAAGCIgIJiKAERKAMAAkwBEIiAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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