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Home> Encyclopedia > Hot Product Listed 2   > 2-Butenedioic acid,2-fluoro-, (2Z)-
16223-24-8 structure

2-Butenedioic acid,2-fluoro-, (2Z)-

Iupac Name:1-(1-benzylpiperidin-4-yl)-3H-indol-2-one
CAS No.:16223-24-8
EINECS(EC#): 303-231-8
Molecular Weight:306.409
Molecular Formula:C10H18O (isomer)
Names and Identifiers
Synonyms

2-Butenedioicacid, 2-fluoro-, (Z)- 2-Fluorofumaric acid Fluorofumaric acid Fumaric acid, fluoro- (6CI,8CI)

Inchi
InChI=1S/C20H22N2O/c23-20-14-17-8-4-5-9-19(17)22(20)18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2
InChkey
ZRIOIQJUIUJPED-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1N2C(=O)CC3=CC=CC=C32)CC4=CC=CC=C4
Properties
Density
1.424
Boiling Point
514.8°Cat760mmHg
Flash Point
415.2°C
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:306.409g/mol
  • Molecular Formula:C10H18O
  • Compound Is Canonicalized:True
  • Exact Mass:306.173
  • Monoisotopic Mass:306.173
  • Complexity:410
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:23
  • 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
 
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