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10154-04-8 | 4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, butyl ester, (E,E)- (8CI,9CI)
CAS No: 10154-04-8 Catalog No: AG0004QM MDL No:
Product Description
Catalog Number:
AG0004QM
Chemical Name:
4,8,12-Tetradecatrienoic acid, 5,9,13-trimethyl-, butyl ester, (E,E)- (8CI,9CI)
CAS Number:
10154-04-8
Molecular Formula:
C21H36O2
Molecular Weight:
320.5093
IUPAC Name:
butyl 5,9,13-trimethyltetradeca-4,8,12-trienoate
InChI:
InChI=1S/C21H36O2/c1-6-7-17-23-21(22)16-10-15-20(5)14-9-13-19(4)12-8-11-18(2)3/h11,13,15H,6-10,12,14,16-17H2,1-5H3
InChI Key:
TVCLQCDFSGZATM-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.272g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.517g/mol
Monoisotopic Mass:
320.272g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
7
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