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123940-93-2 | 8,11,14,17-Eicosatetraenoic acid, ethyl ester, (8Z,11Z,14Z,17Z)-
CAS No: 123940-93-2 Catalog No: AG000L9J MDL No:MFCD01729547
Product Description
Catalog Number:
AG000L9J
Chemical Name:
8,11,14,17-Eicosatetraenoic acid, ethyl ester, (8Z,11Z,14Z,17Z)-
CAS Number:
123940-93-2
Molecular Formula:
C22H36O2
Molecular Weight:
332.5200
MDL Number:
MFCD01729547
IUPAC Name:
ethyl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
InChI:
InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-
InChI Key:
LKBDTOYINRNCSY-AFSLFLIVSA-N
SMILES:
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OCC
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
332.272g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.528g/mol
Monoisotopic Mass:
332.272g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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