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116548-96-0 | Cyclohexanone, 2-[1-(2-hydroxyethoxy)hexyl]-
CAS No: 116548-96-0 Catalog No: AG000CR7 MDL No:
Product Description
Catalog Number:
AG000CR7
Chemical Name:
Cyclohexanone, 2-[1-(2-hydroxyethoxy)hexyl]-
CAS Number:
116548-96-0
Molecular Formula:
C14H26O3
Molecular Weight:
242.3544
IUPAC Name:
2-[1-(2-hydroxyethoxy)hexyl]cyclohexan-1-one
InChI:
InChI=1S/C14H26O3/c1-2-3-4-9-14(17-11-10-15)12-7-5-6-8-13(12)16/h12,14-15H,2-11H2,1H3
InChI Key:
AJQPVFOOZDDASY-UHFFFAOYSA-N
SMILES:
CCCCCC(C1CCCCC1=O)OCCO
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.188g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.359g/mol
Monoisotopic Mass:
242.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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