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F 16915 5mg

CAT: 0628-A20664-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A20664-5Size:5 mg
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CAS Number
92510-91-3

Chemical Information

Pyridin-3-ylmethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CAS Number92510-91-3
PubChem CID14671646
IUPAC Namepyridin-3-ylmethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Molecular FormulaC28H37NO2
Molecular Weight419.6
XLogP6.9
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count31
Formal Charge0
Complexity611
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC1=CN=CC=C1
InChI
InChI=1S/C28H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(30)31-26-27-22-21-24-29-25-27/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25H,2,5,8,11,14,17,20,23,26H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
BUWVEXMRBAWBPJ-KUBAVDMBSA-N
Chemical Structure
2D Structure
2D structure of Pyridin-3-ylmethyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CAS: 92510-91-3
CID: 14671646
Formula: C28H37NO2
MW: 419.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.6
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass419.282429423
Monoisotopic Mass419.282429423
Topological Polar Surface Area39.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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