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848242-74-0 | Phenol, 4,4'-oxybis[2-ethyl-
CAS No: 848242-74-0 Catalog No: AG004QU1 MDL No:
Product Description
Catalog Number:
AG004QU1
Chemical Name:
Phenol, 4,4'-oxybis[2-ethyl-
CAS Number:
848242-74-0
Molecular Formula:
C16H18O3
Molecular Weight:
258.3123
IUPAC Name:
2-ethyl-4-(3-ethyl-4-hydroxyphenoxy)phenol
InChI:
InChI=1S/C16H18O3/c1-3-11-9-13(5-7-15(11)17)19-14-6-8-16(18)12(4-2)10-14/h5-10,17-18H,3-4H2,1-2H3
InChI Key:
AEMSUYNOLDIJHY-UHFFFAOYSA-N
SMILES:
CCc1cc(ccc1O)Oc1ccc(c(c1)CC)O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.317g/mol
Monoisotopic Mass:
258.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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