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951886-50-3 | Ethyl 4-(4-Chloro-2-methoxyphenyl)-4-oxobutanoate
CAS No: 951886-50-3 Catalog No: AG01F9EB MDL No:
Product Description
Catalog Number:
AG01F9EB
Chemical Name:
Ethyl 4-(4-Chloro-2-methoxyphenyl)-4-oxobutanoate
CAS Number:
951886-50-3
Molecular Formula:
C13H15ClO4
Molecular Weight:
270.7088
IUPAC Name:
ethyl 4-(4-chloro-2-methoxyphenyl)-4-oxobutanoate
InChI:
InChI=1S/C13H15ClO4/c1-3-18-13(16)7-6-11(15)10-5-4-9(14)8-12(10)17-2/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
DASSPVNKISEDSG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1OC)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.709g/mol
Monoisotopic Mass:
270.066g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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