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951886-53-6 | Ethyl 5-(4-Chloro-2-methoxyphenyl)-5-oxovalerate
CAS No: 951886-53-6 Catalog No: AG01F9OA MDL No:
Product Description
Catalog Number:
AG01F9OA
Chemical Name:
Ethyl 5-(4-Chloro-2-methoxyphenyl)-5-oxovalerate
CAS Number:
951886-53-6
Molecular Formula:
C14H17ClO4
Molecular Weight:
284.7354
IUPAC Name:
ethyl 5-(4-chloro-2-methoxyphenyl)-5-oxopentanoate
InChI:
InChI=1S/C14H17ClO4/c1-3-19-14(17)6-4-5-12(16)11-8-7-10(15)9-13(11)18-2/h7-9H,3-6H2,1-2H3
InChI Key:
AYYOEHPPBSLBPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(cc1OC)Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.736g/mol
Monoisotopic Mass:
284.082g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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