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101372-99-0 | 4,6,10-Hexadecatrien-1-ol, 1-acetate, (4E,6E,10Z)-
CAS No: 101372-99-0 Catalog No: AG0004B7 MDL No:
Product Description
Catalog Number:
AG0004B7
Chemical Name:
4,6,10-Hexadecatrien-1-ol, 1-acetate, (4E,6E,10Z)-
CAS Number:
101372-99-0
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
acetic acid;hexadeca-4,6,10-trien-1-ol
InChI:
InChI=1S/C16H28O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h6-7,10-13,17H,2-5,8-9,14-16H2,1H3;1H3,(H,3,4)
InChI Key:
LLAAQUJBKNQYBX-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CC/C=C/C=C/CCCOC(=O)C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.235g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.451g/mol
Monoisotopic Mass:
296.235g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
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