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163041-94-9 | 3,8,11-Tetradecatrien-1-ol, 1-acetate, (3E,8Z,11Z)-
CAS No: 163041-94-9 Catalog No: AG001TN1 MDL No:
Product Description
Catalog Number:
AG001TN1
Chemical Name:
3,8,11-Tetradecatrien-1-ol, 1-acetate, (3E,8Z,11Z)-
CAS Number:
163041-94-9
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
[(3E,8Z,11Z)-tetradeca-3,8,11-trienyl] acetate
InChI:
InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4-,8-7-,13-12+
InChI Key:
HWPJPNQEVWTZSJ-XBZOLNABSA-N
SMILES:
CC/C=C\C/C=C\CCC/C=C/CCOC(=O)C
UNII:
6CQR9SPA87
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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