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89546-31-6 | 5-Undecanone, 3-ethyl-3-hydroxy-4-methylene-
CAS No: 89546-31-6 Catalog No: AG003YL4 MDL No:
Product Description
Catalog Number:
AG003YL4
Chemical Name:
5-Undecanone, 3-ethyl-3-hydroxy-4-methylene-
CAS Number:
89546-31-6
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
3-ethyl-3-hydroxy-4-methylideneundecan-5-one
InChI:
InChI=1S/C14H26O2/c1-5-8-9-10-11-13(15)12(4)14(16,6-2)7-3/h16H,4-11H2,1-3H3
InChI Key:
QGYBCERWBGBURR-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C(=C)C(CC)(CC)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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