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178246-71-4 | Acetic acid, 2-cyano-, hexadecyl ester
CAS No: 178246-71-4 Catalog No: AG0025V1 MDL No:
Product Description
Catalog Number:
AG0025V1
Chemical Name:
Acetic acid, 2-cyano-, hexadecyl ester
CAS Number:
178246-71-4
Molecular Formula:
C19H35NO2
Molecular Weight:
309.4867
IUPAC Name:
hexadecyl 2-cyanoacetate
InChI:
InChI=1S/C19H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19(21)16-17-20/h2-16,18H2,1H3
InChI Key:
VYKJKXWAMIAGRC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)CC#N
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.267g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.494g/mol
Monoisotopic Mass:
309.267g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
Literature
| Title | Journal |
|---|---|
| Selegiline-functionalized, PEGylated poly(alkyl cyanoacrylate) nanoparticles: Investigation of interaction with amyloid-β peptide and surface reorganization. | International journal of pharmaceutics 20110920 |
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