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116423-27-9 | 1,4-Benzenediol, 2-(2-methylpropyl)-5-pentyl-
CAS No: 116423-27-9 Catalog No: AG000CGB MDL No:
Product Description
Catalog Number:
AG000CGB
Chemical Name:
1,4-Benzenediol, 2-(2-methylpropyl)-5-pentyl-
CAS Number:
116423-27-9
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
2-(2-methylpropyl)-5-pentylbenzene-1,4-diol
InChI:
InChI=1S/C15H24O2/c1-4-5-6-7-12-9-15(17)13(8-11(2)3)10-14(12)16/h9-11,16-17H,4-8H2,1-3H3
InChI Key:
SOZBAGRGGQHQFP-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(O)c(cc1O)CC(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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