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2589-78-8 | 4-Hexadecylphenol
CAS No: 2589-78-8 Catalog No: AG0038UV MDL No:
Product Description
Catalog Number:
AG0038UV
Chemical Name:
4-Hexadecylphenol
CAS Number:
2589-78-8
Molecular Formula:
C22H38O
Molecular Weight:
318.5365
IUPAC Name:
4-hexadecylphenol
InChI:
InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23)20-18-21/h17-20,23H,2-16H2,1H3
InChI Key:
MHCHQNXRVNQPHJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCc1ccc(cc1)O
EC Number:
219-980-8
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.292g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.545g/mol
Monoisotopic Mass:
318.292g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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