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116719-55-2 | Cyclohexanone, 2-(4-acetyl-3-hydroxy-2-methylphenoxy)-
CAS No: 116719-55-2 Catalog No: AG000D5B MDL No:
Product Description
Catalog Number:
AG000D5B
Chemical Name:
Cyclohexanone, 2-(4-acetyl-3-hydroxy-2-methylphenoxy)-
CAS Number:
116719-55-2
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
2-(4-acetyl-3-hydroxy-2-methylphenoxy)cyclohexan-1-one
InChI:
InChI=1S/C15H18O4/c1-9-13(8-7-11(10(2)16)15(9)18)19-14-6-4-3-5-12(14)17/h7-8,14,18H,3-6H2,1-2H3
InChI Key:
UEMAZKLVDHFJSL-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1Oc1ccc(c(c1C)O)C(=O)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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