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13945-76-1 | Dodecanoic acid, dodecyl ester
CAS No: 13945-76-1 Catalog No: AG001B23 MDL No:
Product Description
Catalog Number:
AG001B23
Chemical Name:
Dodecanoic acid, dodecyl ester
CAS Number:
13945-76-1
Molecular Formula:
C24H48O2
Molecular Weight:
368.6367
IUPAC Name:
dodecyl dodecanoate
InChI:
InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChI Key:
CYUUZGXOQDCCGH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
EC Number:
237-725-9
UNII:
GPW77G0937
NSC Number:
404384
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.365g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.646g/mol
Monoisotopic Mass:
368.365g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
Literature
| Title | Journal |
|---|---|
| Two-step synthesis of fatty acid ethyl ester from soybean oil catalyzed by Yarrowia lipolytica lipase. | Biotechnology for biofuels 20110101 |
| Recognition in ants: social origin matters. | PloS one 20110101 |
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