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20292-09-5 | Octanoic acid, dodecyl ester
CAS No: 20292-09-5 Catalog No: AG0028K1 MDL No:
Product Description
Catalog Number:
AG0028K1
Chemical Name:
Octanoic acid, dodecyl ester
CAS Number:
20292-09-5
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
IUPAC Name:
dodecyl octanoate
InChI:
InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-15-17-19-22-20(21)18-16-14-8-6-4-2/h3-19H2,1-2H3
InChI Key:
OYQTUTLMOLEYNR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)CCCCCCC
EC Number:
243-698-4
UNII:
2U627TBL66
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.538g/mol
Monoisotopic Mass:
312.303g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
Literature
| Title | Journal |
|---|---|
| Synthesis activity-based zymography for detection of lipases and esterases. | Biotechnology letters 20110401 |
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