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155408-10-9 | Docosanamide, N-[2-(4-hydroxyphenyl)ethyl]-
CAS No: 155408-10-9 Catalog No: AG001NWI MDL No:
Product Description
Catalog Number:
AG001NWI
Chemical Name:
Docosanamide, N-[2-(4-hydroxyphenyl)ethyl]-
CAS Number:
155408-10-9
Molecular Formula:
C30H53NO2
Molecular Weight:
459.7473
IUPAC Name:
N-[2-(4-hydroxyphenyl)ethyl]docosanamide
InChI:
InChI=1S/C30H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)31-27-26-28-22-24-29(32)25-23-28/h22-25,32H,2-21,26-27H2,1H3,(H,31,33)
InChI Key:
IMRCWIVSPJOTKF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(cc1)O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.408g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.759g/mol
Monoisotopic Mass:
459.408g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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