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825633-00-9 | 2H-Pyran-2-one, tetrahydro-6-(1E,3Z,6Z)-1,3,6-tridecatrienyl-
CAS No: 825633-00-9 Catalog No: AG005DQ9 MDL No:
Product Description
Catalog Number:
AG005DQ9
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(1E,3Z,6Z)-1,3,6-tridecatrienyl-
CAS Number:
825633-00-9
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
IUPAC Name:
6-trideca-1,3,6-trienyloxan-2-one
InChI:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(19)20-17/h7-8,10-12,14,17H,2-6,9,13,15-16H2,1H3
InChI Key:
NFBOOMSSQGAJAY-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C\C/C=C\C=C\C1CCCC(=O)O1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
5.6
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