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89201-02-5 | Propanedioic acid, [2-(4-chlorophenyl)-2-oxoethylidene]-, diethyl ester
CAS No: 89201-02-5 Catalog No: AG00457G MDL No:
Product Description
Catalog Number:
AG00457G
Chemical Name:
Propanedioic acid, [2-(4-chlorophenyl)-2-oxoethylidene]-, diethyl ester
CAS Number:
89201-02-5
Molecular Formula:
C15H15ClO5
Molecular Weight:
310.7296
IUPAC Name:
diethyl 2-[2-(4-chlorophenyl)-2-oxoethylidene]propanedioate
InChI:
InChI=1S/C15H15ClO5/c1-3-20-14(18)12(15(19)21-4-2)9-13(17)10-5-7-11(16)8-6-10/h5-9H,3-4H2,1-2H3
InChI Key:
QJUQVOCFUOMQMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CC(=O)c1ccc(cc1)Cl)C(=O)OCC
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.73g/mol
Monoisotopic Mass:
310.061g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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