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89114-52-3 | Acetic acid, [(6-oxo-2-phenyl-1-cyclohexen-1-yl)oxy]-, ethyl ester
CAS No: 89114-52-3 Catalog No: AG003ZIT MDL No:
Product Description
Catalog Number:
AG003ZIT
Chemical Name:
Acetic acid, [(6-oxo-2-phenyl-1-cyclohexen-1-yl)oxy]-, ethyl ester
CAS Number:
89114-52-3
Molecular Formula:
C16H18O4
Molecular Weight:
274.3117
IUPAC Name:
ethyl 2-(6-oxo-2-phenylcyclohexen-1-yl)oxyacetate
InChI:
InChI=1S/C16H18O4/c1-2-19-15(18)11-20-16-13(9-6-10-14(16)17)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChI Key:
MRVGVEMFGFJEHZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC1=C(CCCC1=O)c1ccccc1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.316g/mol
Monoisotopic Mass:
274.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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