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158110-20-4 | Cyclopentanone, 2-[(1S)-1-hydroxyundecyl]-, (2R)-
CAS No: 158110-20-4 Catalog No: AG001Q04 MDL No:
Product Description
Catalog Number:
AG001Q04
Chemical Name:
Cyclopentanone, 2-[(1S)-1-hydroxyundecyl]-, (2R)-
CAS Number:
158110-20-4
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
(2R)-2-[(1S)-1-hydroxyundecyl]cyclopentan-1-one
InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-12-15(17)14-11-10-13-16(14)18/h14-15,17H,2-13H2,1H3/t14-,15+/m1/s1
InChI Key:
KENQSXZRJRQQTN-CABCVRRESA-N
SMILES:
CCCCCCCCCC[C@@H]([C@H]1CCCC1=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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