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2040-64-4 | Tetradecanoic acid, dodecyl ester
CAS No: 2040-64-4 Catalog No: AG002999 MDL No:
Product Description
Catalog Number:
AG002999
Chemical Name:
Tetradecanoic acid, dodecyl ester
CAS Number:
2040-64-4
Molecular Formula:
C26H52O2
Molecular Weight:
396.6899
IUPAC Name:
dodecyl tetradecanoate
InChI:
InChI=1S/C26H52O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26(27)28-25-23-21-19-17-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChI Key:
DFQOCHPHORLRID-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
EC Number:
218-039-9
UNII:
W5V732TTKE
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.397g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.7g/mol
Monoisotopic Mass:
396.397g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.9
Literature
| Title | Journal |
|---|---|
| Recognition in ants: social origin matters. | PloS one 20110101 |
| Chemical and physical analyses of wax ester properties. | Journal of insect science (Online) 20010101 |
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