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139266-46-9 | Acetic acid, 2-[4-chloro-5-(4-ethoxyphenyl)-3-oxo-2(3H)-furanylidene]-, ethyl ester
CAS No: 139266-46-9 Catalog No: AG001AM2 MDL No:
Product Description
Catalog Number:
AG001AM2
Chemical Name:
Acetic acid, 2-[4-chloro-5-(4-ethoxyphenyl)-3-oxo-2(3H)-furanylidene]-, ethyl ester
CAS Number:
139266-46-9
Molecular Formula:
C16H15ClO5
Molecular Weight:
322.7403
IUPAC Name:
ethyl 2-[4-chloro-5-(4-ethoxyphenyl)-3-oxofuran-2-ylidene]acetate
InChI:
InChI=1S/C16H15ClO5/c1-3-20-11-7-5-10(6-8-11)16-14(17)15(19)12(22-16)9-13(18)21-4-2/h5-9H,3-4H2,1-2H3
InChI Key:
KJVVANIGXONBOC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1OC(=C(C1=O)Cl)c1ccc(cc1)OCC
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.061g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.741g/mol
Monoisotopic Mass:
322.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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