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26379-96-4 | 3-Cyclohexene-1-carboxylic acid, 4,6-bis(4-chlorophenyl)-2-oxo-, ethyl ester
CAS No: 26379-96-4 Catalog No: AG002SXV MDL No:MFCD03425713
Product Description
Catalog Number:
AG002SXV
Chemical Name:
3-Cyclohexene-1-carboxylic acid, 4,6-bis(4-chlorophenyl)-2-oxo-, ethyl ester
CAS Number:
26379-96-4
Molecular Formula:
C21H18Cl2O3
Molecular Weight:
389.2718
MDL Number:
MFCD03425713
IUPAC Name:
ethyl 4,6-bis(4-chlorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C21H18Cl2O3/c1-2-26-21(25)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-10,12,18,20H,2,11H2,1H3
InChI Key:
VTXYDRYEGXEPOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1C(=O)C=C(CC1c1ccc(cc1)Cl)c1ccc(cc1)Cl
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.063g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.272g/mol
Monoisotopic Mass:
388.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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