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138247-14-0 | Benzenepentanoic acid, 4-hexyl-δ-oxo-, ethyl ester
CAS No: 138247-14-0 Catalog No: AG0018DS MDL No:
Product Description
Catalog Number:
AG0018DS
Chemical Name:
Benzenepentanoic acid, 4-hexyl-δ-oxo-, ethyl ester
CAS Number:
138247-14-0
Molecular Formula:
C19H28O3
Molecular Weight:
304.4238
IUPAC Name:
ethyl 5-(4-hexylphenyl)-5-oxopentanoate
InChI:
InChI=1S/C19H28O3/c1-3-5-6-7-9-16-12-14-17(15-13-16)18(20)10-8-11-19(21)22-4-2/h12-15H,3-11H2,1-2H3
InChI Key:
HSCOTGAWAQGWRQ-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)CCCC(=O)OCC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.204g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.43g/mol
Monoisotopic Mass:
304.204g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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