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1227-51-6 | 2H-Pyran-2-one, tetrahydro-6-tridecyl-
CAS No: 1227-51-6 Catalog No: AG000J0F MDL No:
Product Description
Catalog Number:
AG000J0F
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-tridecyl-
CAS Number:
1227-51-6
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
6-tridecyloxan-2-one
InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(19)20-17/h17H,2-16H2,1H3
InChI Key:
VVLRVPJYFLFSQG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC1CCCC(=O)O1
FEMA Number:
4447
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
Literature
| Title | Journal |
|---|---|
| Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream. | Journal of agricultural and food chemistry 20071114 |
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