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92446-08-7 | 2H-Pyran-2-one, tetrahydro-6-(1-iodo-3,6,9-hexadecatrienyl)-
CAS No: 92446-08-7 Catalog No: AG0065UL MDL No:
Product Description
Catalog Number:
AG0065UL
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(1-iodo-3,6,9-hexadecatrienyl)-
CAS Number:
92446-08-7
Molecular Formula:
C21H33IO2
Molecular Weight:
444.3900
IUPAC Name:
6-(1-iodohexadeca-3,6,9-trienyl)oxan-2-one
InChI:
InChI=1S/C21H33IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(23)24-20/h7-8,10-11,13-14,19-20H,2-6,9,12,15-18H2,1H3
InChI Key:
GWPHFWWNXOPDSX-UHFFFAOYSA-N
SMILES:
CCCCCCC=CCC=CCC=CCC(C1CCCC(=O)O1)I
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.153g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.397g/mol
Monoisotopic Mass:
444.153g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
3
XLogP3:
7.4
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