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162131-26-2 | 1,2-Benzenediol, 4,5-dihexyl-
CAS No: 162131-26-2 Catalog No: AG001SSA MDL No:
Product Description
Catalog Number:
AG001SSA
Chemical Name:
1,2-Benzenediol, 4,5-dihexyl-
CAS Number:
162131-26-2
Molecular Formula:
C18H30O2
Molecular Weight:
278.4296
IUPAC Name:
4,5-dihexylbenzene-1,2-diol
InChI:
InChI=1S/C18H30O2/c1-3-5-7-9-11-15-13-17(19)18(20)14-16(15)12-10-8-6-4-2/h13-14,19-20H,3-12H2,1-2H3
InChI Key:
PEHVNYZJKSVFPO-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(O)c(cc1CCCCCC)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.225g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.436g/mol
Monoisotopic Mass:
278.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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