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18229-30-6 | 9,10-Octadecanedione
CAS No: 18229-30-6 Catalog No: AG0023KU MDL No:
Product Description
Catalog Number:
AG0023KU
Chemical Name:
9,10-Octadecanedione
CAS Number:
18229-30-6
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
octadecane-9,10-dione
InChI:
InChI=1S/C18H34O2/c1-3-5-7-9-11-13-15-17(19)18(20)16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key:
YSDLVQIOIXINJC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)C(=O)CCCCCCCC
Properties
Complexity:
220
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:
15
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones. | Bioorganic & medicinal chemistry 20110801 |
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