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210886-26-3 | 2-Cyclohexen-1-one, 3-(12-hydroxydodecyl)-
CAS No: 210886-26-3 Catalog No: AG002L1G MDL No:
Product Description
Catalog Number:
AG002L1G
Chemical Name:
2-Cyclohexen-1-one, 3-(12-hydroxydodecyl)-
CAS Number:
210886-26-3
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
3-(12-hydroxydodecyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C18H32O2/c19-15-10-8-6-4-2-1-3-5-7-9-12-17-13-11-14-18(20)16-17/h16,19H,1-15H2
InChI Key:
OSHCSGKZRIPLMT-UHFFFAOYSA-N
SMILES:
OCCCCCCCCCCCCC1=CC(=O)CCC1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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