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Home> Encyclopedia > Hot Product Listed 5   > 5,8,11,14-Octadecatetraenoicacid
10039-32-4 structure

5,8,11,14-Octadecatetraenoicacid

Iupac Name:disodium;hydrogen phosphate;dodecahydrate
CAS No.:10039-32-4
Molecular Weight:358.137
Molecular Formula:C42H76O8SN (isomer)
Names and Identifiers
Synonyms

5,8,11,14-octadecatetraenoic acid

Inchi
InChI=1S/2Na.H3O4P.12H2O/c;;1-5(2,3)4;;;;;;;;;;;;/h;;(H3,1,2,3,4);12*1H2/q2*+1;;;;;;;;;;;;;/p-2
InChkey
DGLRDKLJZLEJCY-UHFFFAOYSA-L
Canonical Smiles
O.O.O.O.O.O.O.O.O.O.O.O.OP(=O)([O-])[O-].[Na+].[Na+]
Properties
Melting Point
35℃
Boiling Point
813.4°C at 760 mmHg
Refractive Index
1.429
Flash Point
238°C
HS Code
28352200
Safety and Handling
Safety Statements
S24/25
Transport
HAZARD
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:358.137g/mol
  • Molecular Formula:C42H76O8SN
  • Compound Is Canonicalized:True
  • Exact Mass:358.068
  • Monoisotopic Mass:358.068
  • Complexity:46.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:13
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:95.4A^2
  • Heavy Atom Count:19
  • 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:15
  • CACTVS Substructure Key Fingerprint: AAADceAAPjIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACCAAAAAAAAAAAAAAABAA QAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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