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130-73-4 | Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis[2-methyl-
CAS No: 130-73-4 Catalog No: AG000TV6 MDL No:
Product Description
Catalog Number:
AG000TV6
Chemical Name:
Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis[2-methyl-
CAS Number:
130-73-4
Molecular Formula:
C20H26O2
Molecular Weight:
298.4192
IUPAC Name:
4-[4-(4-hydroxy-3-methylphenyl)hexan-3-yl]-2-methylphenol
InChI:
InChI=1S/C20H26O2/c1-5-17(15-7-9-19(21)13(3)11-15)18(6-2)16-8-10-20(22)14(4)12-16/h7-12,17-18,21-22H,5-6H2,1-4H3
InChI Key:
PYWBJEDBESDHNP-UHFFFAOYSA-N
SMILES:
CCC(C(c1ccc(c(c1)C)O)CC)c1ccc(c(c1)C)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.193g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.426g/mol
Monoisotopic Mass:
298.193g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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