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143741-81-5 | 2,11,13-Tetradecatrienoic acid, 7-oxo-, ethyl ester, (E,E)- (9CI)
CAS No: 143741-81-5 Catalog No: AG001IBD MDL No:
Product Description
Catalog Number:
AG001IBD
Chemical Name:
2,11,13-Tetradecatrienoic acid, 7-oxo-, ethyl ester, (E,E)- (9CI)
CAS Number:
143741-81-5
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
ethyl 7-oxotetradeca-2,11,13-trienoate
InChI:
InChI=1S/C16H24O3/c1-3-5-6-7-9-12-15(17)13-10-8-11-14-16(18)19-4-2/h3,5-6,11,14H,1,4,7-10,12-13H2,2H3
InChI Key:
WOFGMAGLUJCUQN-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/CCCC(=O)CCC/C=C/C=C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.3
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