5-Octylresorcinol - CAS 46733-28-2
Catalog:
BB058582
Product Name:
5-Octylresorcinol
CAS:
46733-28-2
Synonyms:
5-Octyl-1,3-benzenediol
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BB058582
5 g
$199
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IUPAC Name: 5-octylbenzene-1,3-diol
Description: 5-Octyl-1,3-benzenediol is a useful chemical reagent.
Molecular Weight: 222.32
Molecular Formula: C14H22O2
Canonical SMILES: CCCCCCCCC1=CC(=CC(=C1)O)O
InChI: InChI=1S/C14H22O2/c1-2-3-4-5-6-7-8-12-9-13(15)11-14(16)10-12/h9-11,15-16H,2-8H2,1H3
InChI Key: TUJIXDOPKBTCBL-UHFFFAOYSA-N
Melting Point: 61-62 °C
Density: 1.019±0.06 g/cm3 (Predicted)
Complexity: 160
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 222.16197994
Formal Charge: 0
Heavy Atom Count: 16
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 222.16197994
Rotatable Bond Count: 7
Topological Polar Surface Area: 40.5Ų
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 5.3
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