200,000+ products from a single source!
sales@angenechem.com
25960-25-2 | 3-Cyclohexene-1-carboxylic acid, 4-(4-methoxyphenyl)-2-oxo-6-phenyl-, ethyl ester
CAS No: 25960-25-2 Catalog No: AG002R71 MDL No:MFCD02031258
Product Description
Catalog Number:
AG002R71
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4-(4-methoxyphenyl)-2-oxo-6-phenyl-, ethyl ester
CAS Number:
25960-25-2
Molecular Formula:
C22H22O4
Molecular Weight:
350.4077
MDL Number:
MFCD02031258
IUPAC Name:
ethyl 4-(4-methoxyphenyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C22H22O4/c1-3-26-22(24)21-19(16-7-5-4-6-8-16)13-17(14-20(21)23)15-9-11-18(25-2)12-10-15/h4-12,14,19,21H,3,13H2,1-2H3
InChI Key:
AEZUZXYVWGQRLK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)C=C(CC1c1ccccc1)c1ccc(cc1)OC
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.414g/mol
Monoisotopic Mass:
350.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| (1RS,6SR)-Ethyl 4-(4-chloro-phen-yl)-6-(4-fluoro-phen-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate toluene hemisolvate. | Acta crystallographica. Section E, Structure reports online 20110201 |
| (1RS,6SR)-Ethyl 4,6-bis-(4-fluoro-phen-yl)-2-oxocyclo-hex-3-ene-1-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20110201 |
| Ethyl 4-(4-methoxy-phen-yl)-2-oxo-6-phenyl-cyclo-hex-3-ene-1-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20081201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.