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28555-06-8 | Octadecenoic acid, ethyl ester
CAS No: 28555-06-8 Catalog No: AG002VOV MDL No:
Product Description
Catalog Number:
AG002VOV
Chemical Name:
Octadecenoic acid, ethyl ester
CAS Number:
28555-06-8
Molecular Formula:
C20H38O2
Molecular Weight:
310.5145
IUPAC Name:
ethyl octadec-2-enoate
InChI:
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h18-19H,3-17H2,1-2H3
InChI Key:
KNJVPYFJAJRUJF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC=CC(=O)OCC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.287g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.522g/mol
Monoisotopic Mass:
310.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.8
Literature
| Title | Journal |
|---|---|
| Analysis of insecticidal Azadirachta indica A. Juss. fractions. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20040101 |
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