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13658-19-0 | Cyclohexanecarboxylic acid, 2-oxo-5-phenyl-, ethyl ester
CAS No: 13658-19-0 Catalog No: AG001245 MDL No:MFCD16517135
Product Description
Catalog Number:
AG001245
Chemical Name:
Cyclohexanecarboxylic acid, 2-oxo-5-phenyl-, ethyl ester
CAS Number:
13658-19-0
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
MDL Number:
MFCD16517135
IUPAC Name:
ethyl 2-oxo-5-phenylcyclohexane-1-carboxylate
InChI:
InChI=1S/C15H18O3/c1-2-18-15(17)13-10-12(8-9-14(13)16)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChI Key:
JZNYKTFYDHOKCD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(CCC1=O)c1ccccc1
Properties
Complexity:
305
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:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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