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16387-40-9 | 4,6-Nonanedione, 5-ethyl-
CAS No: 16387-40-9 Catalog No: AG001UH1 MDL No:
Product Description
Catalog Number:
AG001UH1
Chemical Name:
4,6-Nonanedione, 5-ethyl-
CAS Number:
16387-40-9
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
5-ethylnonane-4,6-dione
InChI:
InChI=1S/C11H20O2/c1-4-7-10(12)9(6-3)11(13)8-5-2/h9H,4-8H2,1-3H3
InChI Key:
YDJCAIILNKAXTJ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)CCC)C(=O)CCC
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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