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951886-77-4 | Ethyl 7-(5-Chloro-2-methoxyphenyl)-7-oxoheptanoate
CAS No: 951886-77-4 Catalog No: AG01F955 MDL No:
Product Description
Catalog Number:
AG01F955
Chemical Name:
Ethyl 7-(5-Chloro-2-methoxyphenyl)-7-oxoheptanoate
CAS Number:
951886-77-4
Molecular Formula:
C16H21ClO4
Molecular Weight:
312.7885
IUPAC Name:
ethyl 7-(5-chloro-2-methoxyphenyl)-7-oxoheptanoate
InChI:
InChI=1S/C16H21ClO4/c1-3-21-16(19)8-6-4-5-7-14(18)13-11-12(17)9-10-15(13)20-2/h9-11H,3-8H2,1-2H3
InChI Key:
WXCACPWHCYEKTE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cc(Cl)ccc1OC
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.79g/mol
Monoisotopic Mass:
312.113g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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