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198064-91-4 | Benzeneoctanoic acid, 4-chloro-η-oxo-, ethyl ester
CAS No: 198064-91-4 Catalog No: AG002B9I MDL No:
Product Description
Catalog Number:
AG002B9I
Chemical Name:
Benzeneoctanoic acid, 4-chloro-η-oxo-, ethyl ester
CAS Number:
198064-91-4
Molecular Formula:
C16H21ClO3
Molecular Weight:
296.7891
IUPAC Name:
ethyl 8-(4-chlorophenyl)-8-oxooctanoate
InChI:
InChI=1S/C16H21ClO3/c1-2-20-16(19)8-6-4-3-5-7-15(18)13-9-11-14(17)12-10-13/h9-12H,2-8H2,1H3
InChI Key:
CUDIWJDWEUCHIU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1ccc(cc1)Cl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.118g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.791g/mol
Monoisotopic Mass:
296.118g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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