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13037-88-2 | Phenol, 4-(hexadecyloxy)-
CAS No: 13037-88-2 Catalog No: AG000UCJ MDL No:
Product Description
Catalog Number:
AG000UCJ
Chemical Name:
Phenol, 4-(hexadecyloxy)-
CAS Number:
13037-88-2
Molecular Formula:
C22H38O2
Molecular Weight:
334.5359
IUPAC Name:
4-hexadecoxyphenol
InChI:
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(23)17-19-22/h16-19,23H,2-15,20H2,1H3
InChI Key:
CWTMUDGIRYDDHJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc(cc1)O
Properties
Complexity:
246
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:
1
Isotope Atom Count:
0
Molecular Weight:
334.544g/mol
Monoisotopic Mass:
334.287g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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