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178686-77-6 | Benzenehexanoic acid, 4-hexyl-ε-oxo-
CAS No: 178686-77-6 Catalog No: AG002685 MDL No:
Product Description
Catalog Number:
AG002685
Chemical Name:
Benzenehexanoic acid, 4-hexyl-ε-oxo-
CAS Number:
178686-77-6
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
6-(4-hexylphenyl)-6-oxohexanoic acid
InChI:
InChI=1S/C18H26O3/c1-2-3-4-5-8-15-11-13-16(14-12-15)17(19)9-6-7-10-18(20)21/h11-14H,2-10H2,1H3,(H,20,21)
InChI Key:
HBVPJPCDSQNIBL-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)CCCCC(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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