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Home> Encyclopedia > Hot Product Listed 2   > 2-Cyclopentene-1-undecanoicacid, ethyl ester, (+)-
7558-79-4 structure

2-Cyclopentene-1-undecanoicacid, ethyl ester, (+)-

Iupac Name:disodium;hydrogen phosphate
CAS No.:7558-79-4
Molecular Weight:141.958841
Molecular Formula:C15H18N2O (isomer)
Names and Identifiers
Synonyms

Ethylhydnocarpate Hydnocarpic acid ethyl ester

Inchi
InChI=1/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2
InChkey
BNIILDVGGAEEIG-UHFFFAOYSA-L
Canonical Smiles
OP(=O)([O-])[O-].[Na+].[Na+]
Isomers Smiles
OP(=O)([O-])[O-].[Na+].[Na+]
Properties
Density
1.13
Melting Point
243-245 °C
Flash Point
214.2°C
HS Code
28352200
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25;S36
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:141.958841g/mol
  • Molecular Formula:C15H18N2O
  • Exact Mass:141.940784
  • Monoisotopic Mass:141.940784
  • Complexity:46.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.4
  • Heavy Atom Count:7
  • 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:3
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