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87340-57-6 | Benzene, [(1-butylhexyl)oxy]-
CAS No: 87340-57-6 Catalog No: AG004HO3 MDL No:
Product Description
Catalog Number:
AG004HO3
Chemical Name:
Benzene, [(1-butylhexyl)oxy]-
CAS Number:
87340-57-6
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
decan-5-yloxybenzene
InChI:
InChI=1S/C16H26O/c1-3-5-8-12-15(11-6-4-2)17-16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3
InChI Key:
QEQJVLBDLSXCPN-UHFFFAOYSA-N
SMILES:
CCCCCC(Oc1ccccc1)CCCC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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