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163041-89-2 | 8,11-Tetradecadien-1-ol, acetate, (Z,Z)- (9CI)
CAS No: 163041-89-2 Catalog No: AG001TN2 MDL No:
Product Description
Catalog Number:
AG001TN2
Chemical Name:
8,11-Tetradecadien-1-ol, acetate, (Z,Z)- (9CI)
CAS Number:
163041-89-2
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
acetic acid;tetradeca-8,11-dien-1-ol
InChI:
InChI=1S/C14H26O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2(3)4/h3-4,6-7,15H,2,5,8-14H2,1H3;1H3,(H,3,4)
InChI Key:
MDEWYDFKASQZBF-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\CCCCCCCOC(=O)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.219g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.413g/mol
Monoisotopic Mass:
270.219g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
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