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89355-13-5 | 6-Undecanone, 5-ethyl-
CAS No: 89355-13-5 Catalog No: AG003Z86 MDL No:
Product Description
Catalog Number:
AG003Z86
Chemical Name:
6-Undecanone, 5-ethyl-
CAS Number:
89355-13-5
Molecular Formula:
C13H26O
Molecular Weight:
198.3449
IUPAC Name:
5-ethylundecan-6-one
InChI:
InChI=1S/C13H26O/c1-4-7-9-11-13(14)12(6-3)10-8-5-2/h12H,4-11H2,1-3H3
InChI Key:
KALOYZXPKPLLLM-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C(CCCC)CC
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.198g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.35g/mol
Monoisotopic Mass:
198.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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