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116752-10-4 | 8,11-Pentadecadien-2-one, (8Z,11Z)-
CAS No: 116752-10-4 Catalog No: AG000D6Y MDL No:
Product Description
Catalog Number:
AG000D6Y
Chemical Name:
8,11-Pentadecadien-2-one, (8Z,11Z)-
CAS Number:
116752-10-4
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
pentadeca-8,11-dien-2-one
InChI:
InChI=1S/C15H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChI Key:
HDOQHUXLHUAFCN-UHFFFAOYSA-N
SMILES:
CCC/C=C\C/C=C\CCCCCC(=O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Isolation, structure elucidation and total synthesis of a cytotoxic dienone from Echinacea pallida. | Organic & biomolecular chemistry 20081207 |
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