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210886-30-9 | 2-Cyclohexen-1-one, 3-(11-hydroxyundecyl)-4,4-dimethyl-
CAS No: 210886-30-9 Catalog No: AG002L1F MDL No:
Product Description
Catalog Number:
AG002L1F
Chemical Name:
2-Cyclohexen-1-one, 3-(11-hydroxyundecyl)-4,4-dimethyl-
CAS Number:
210886-30-9
Molecular Formula:
C19H34O2
Molecular Weight:
294.4721
IUPAC Name:
3-(11-hydroxyundecyl)-4,4-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C19H34O2/c1-19(2)14-13-18(21)16-17(19)12-10-8-6-4-3-5-7-9-11-15-20/h16,20H,3-15H2,1-2H3
InChI Key:
LSOFWHHAFIIHAA-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCC1=CC(=O)CCC1(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.256g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.479g/mol
Monoisotopic Mass:
294.256g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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