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2566-89-4 | (5Z,8Z,11Z,14Z);-Methyl icosa-5,8,11,14-tetraenoate
CAS No: 2566-89-4 Catalog No: AG003RZA MDL No:MFCD00016775
Product Description
Catalog Number:
AG003RZA
Chemical Name:
(5Z,8Z,11Z,14Z);-Methyl icosa-5,8,11,14-tetraenoate
CAS Number:
2566-89-4
Molecular Formula:
C21H34O2
Molecular Weight:
318.4935
MDL Number:
MFCD00016775
IUPAC Name:
methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
InChI:
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChI Key:
OFIDNKMQBYGNIW-ZKWNWVNESA-N
SMILES:
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC
EC Number:
219-900-1
UNII:
22AF6IJ1IJ
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
318.256g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.501g/mol
Monoisotopic Mass:
318.256g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| Antimicrobial activity of n-6, n-7 and n-9 fatty acids and their esters for oral microorganisms. | Archives of oral biology 20100801 |
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