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210886-40-1 | 2-Cyclohexen-1-one, 3-(14-hydroxytetradecyl)-4-methyl-
CAS No: 210886-40-1 Catalog No: AG002L1E MDL No:
Product Description
Catalog Number:
AG002L1E
Chemical Name:
2-Cyclohexen-1-one, 3-(14-hydroxytetradecyl)-4-methyl-
CAS Number:
210886-40-1
Molecular Formula:
C21H38O2
Molecular Weight:
322.5252
IUPAC Name:
3-(14-hydroxytetradecyl)-4-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C21H38O2/c1-19-15-16-21(23)18-20(19)14-12-10-8-6-4-2-3-5-7-9-11-13-17-22/h18-19,22H,2-17H2,1H3
InChI Key:
PKWPHLCCQVCBLJ-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCCCC1=CC(=O)CCC1C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.287g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.533g/mol
Monoisotopic Mass:
322.287g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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