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101747-07-3 | Cyclohexanecarboxylic acid, 2-oxo-1-(2-oxo-2-phenylethyl)-, ethyl ester
CAS No: 101747-07-3 Catalog No: AG0005DZ MDL No:
Product Description
Catalog Number:
AG0005DZ
Chemical Name:
Cyclohexanecarboxylic acid, 2-oxo-1-(2-oxo-2-phenylethyl)-, ethyl ester
CAS Number:
101747-07-3
Molecular Formula:
C17H20O4
Molecular Weight:
288.3383
IUPAC Name:
ethyl 2-oxo-1-phenacylcyclohexane-1-carboxylate
InChI:
InChI=1S/C17H20O4/c1-2-21-16(20)17(11-7-6-10-15(17)19)12-14(18)13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChI Key:
BBEAGMBSOVIUFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCCCC1=O)CC(=O)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.343g/mol
Monoisotopic Mass:
288.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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