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89228-50-2 | Cyclohexanone, 2-[2-(acetyloxy)phenyl]-2-methyl-
CAS No: 89228-50-2 Catalog No: AG0043EB MDL No:
Product Description
Catalog Number:
AG0043EB
Chemical Name:
Cyclohexanone, 2-[2-(acetyloxy)phenyl]-2-methyl-
CAS Number:
89228-50-2
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
[2-(1-methyl-2-oxocyclohexyl)phenyl] acetate
InChI:
InChI=1S/C15H18O3/c1-11(16)18-13-8-4-3-7-12(13)15(2)10-6-5-9-14(15)17/h3-4,7-8H,5-6,9-10H2,1-2H3
InChI Key:
JBHFCALDSISCNJ-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1C1(C)CCCCC1=O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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