ISBOGREL

Catalog No: FT-0630964

CAS No: 89667-40-3

Chemical Name: ISBOGREL
Molecular Formula: C18H19NO2
Molecular Weight: 281.3
InChI Key: UWPBQLKEHGGKKD-GZTJUZNOSA-N
InChI: InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
CAS:	89667-40-3
MF:	C18H19NO2
Flash_Point:	245.1ºC
Product_Name:	(E)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Density:	1.122g/cm3
FW:	281.34900
Bolling_Point:	481.7ºC at 760 mmHg

FW:	281.34900
Refractive_Index:	1.579
MF:	C18H19NO2
Flash_Point:	245.1ºC
LogP:	4.15830
Molecular_Structure:	['1 . Molar refractive index 8336 ', '2 . Molar volume 2507 ', '3 . Parachor （902K）6598 ', '4 . Surface tension 479 ', '5 . Polarizability 3305']
Density:	1.122g/cm3
PSA:	50.19000
Bolling_Point:	481.7ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :4 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :N/A ', '6. TPSA 502 ', '7. Heavy Atom Count :21 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :345 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :1 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass:	281.14200