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Hexadecyl Acrylate

CAT: 0024-sc-488379Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-488379Size:25 g
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CAS Number
13402-02-3

Chemical Information

2-Propenoic acid, hexadecyl ester
CAS Number13402-02-3
PubChem CID83410
IUPAC Namehexadecyl prop-2-enoate
Molecular FormulaC19H36O2
Molecular Weight296.5
XLogP8.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Heavy Atom Count21
Formal Charge0
Complexity236
SMILES
CCCCCCCCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h4H,2-3,5-18H2,1H3
InChIKey
PZDUWXKXFAIFOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propenoic acid, hexadecyl ester
CAS: 13402-02-3
CID: 83410
Formula: C19H36O2
MW: 296.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight296.5
XLogP38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count17
Exact Mass296.271530387
Monoisotopic Mass296.271530387
Topological Polar Surface Area26.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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