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86252-73-5 | Z-6,17-OCTADECADIEN-1-OL ACETATE
CAS No: 86252-73-5 Catalog No: AG004S23 MDL No:
Product Description
Catalog Number:
AG004S23
Chemical Name:
Z-6,17-OCTADECADIEN-1-OL ACETATE
CAS Number:
86252-73-5
Molecular Formula:
C20H38O3
Molecular Weight:
326.5139
IUPAC Name:
acetic acid;octadeca-6,17-dien-1-ol
InChI:
InChI=1S/C18H34O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h2,12-13,19H,1,3-11,14-18H2;1H3,(H,3,4)
InChI Key:
YFBBWAQTZBHUKH-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCCCCC/C=C\CCCCCCCCCC=C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.282g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.521g/mol
Monoisotopic Mass:
326.282g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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