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84765-48-0 | 1,3-Benzenediol, 5-hexadecyl-
CAS No: 84765-48-0 Catalog No: AG004OW8 MDL No:
Product Description
Catalog Number:
AG004OW8
Chemical Name:
1,3-Benzenediol, 5-hexadecyl-
CAS Number:
84765-48-0
Molecular Formula:
C22H38O2
Molecular Weight:
334.5359
IUPAC Name:
5-hexadecylbenzene-1,3-diol
InChI:
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(24)18-20/h17-19,23-24H,2-16H2,1H3
InChI Key:
FYXJKENJKALVIL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCc1cc(O)cc(c1)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.287g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.544g/mol
Monoisotopic Mass:
334.287g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.6
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