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951886-81-0 | Ethyl 8-(5-Chloro-2-methoxyphenyl)-8-oxooctanoate
CAS No: 951886-81-0 Catalog No: AG01F9EF MDL No:
Product Description
Catalog Number:
AG01F9EF
Chemical Name:
Ethyl 8-(5-Chloro-2-methoxyphenyl)-8-oxooctanoate
CAS Number:
951886-81-0
Molecular Formula:
C17H23ClO4
Molecular Weight:
326.8151
IUPAC Name:
ethyl 8-(5-chloro-2-methoxyphenyl)-8-oxooctanoate
InChI:
InChI=1S/C17H23ClO4/c1-3-22-17(20)9-7-5-4-6-8-15(19)14-12-13(18)10-11-16(14)21-2/h10-12H,3-9H2,1-2H3
InChI Key:
NTBVBYKCPCCRQE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1cc(Cl)ccc1OC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.128g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.817g/mol
Monoisotopic Mass:
326.128g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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