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178686-87-8 | Benzenehexanoic acid, 4-(hexyloxy)-ε-oxo-
CAS No: 178686-87-8 Catalog No: AG002684 MDL No:
Product Description
Catalog Number:
AG002684
Chemical Name:
Benzenehexanoic acid, 4-(hexyloxy)-ε-oxo-
CAS Number:
178686-87-8
Molecular Formula:
C18H26O4
Molecular Weight:
306.3966
IUPAC Name:
6-(4-hexoxyphenyl)-6-oxohexanoic acid
InChI:
InChI=1S/C18H26O4/c1-2-3-4-7-14-22-16-12-10-15(11-13-16)17(19)8-5-6-9-18(20)21/h10-13H,2-9,14H2,1H3,(H,20,21)
InChI Key:
GQEAOKMHCOWRNY-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)CCCCC(=O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.402g/mol
Monoisotopic Mass:
306.183g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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