2,3-dihydro-1,4-benzodioxin-2-ylacetonitrile (CAS: 18505-91-4) - Chemical Structure and Molecular Formula
2,3-dihydro-1,4-benzodioxin-2-ylacetonitrile (CAS: 18505-91-4) - Chemical Structure Thumbnail

2,3-dihydro-1,4-benzodioxin-2-ylacetonitrile

Catalog No:   FT-0691377

CAS No:   18505-91-4

  • Chemical Name:  2,3-dihydro-1,4-benzodioxin-2-ylacetonitrile
  • Molecular Formula:  C10H9NO2
  • Molecular Weight:  175.18
  • InChI Key:  PWZFEIJALHLRKF-UHFFFAOYSA-N
  • InChI:  InChI=1S/C10H9NO2/c11-6-5-8-7-12-9-3-1-2-4-10(9)13-8/h1-4,8H,5,7H2
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: N/A
CAS: 18505-91-4
MF: C10H9NO2
Flash_Point: 137.5ºC
Product_Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)acetonitrile
Density: 1.173 g/cm3
FW: 175.18400
Bolling_Point: 326.7ºC at 760 mmHg
MF: C10H9NO2
Flash_Point: 137.5ºC
LogP: 1.74008
Density: 1.173 g/cm3
FW: 175.18400
PSA: 42.25000
Bolling_Point: 326.7ºC at 760 mmHg
Computational_Chemistry: ['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 422 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :220 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass: 175.06300
HS_Code: 2932999099

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