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178957-22-7 | Tetracosanoic acid, dotriacontyl ester
CAS No: 178957-22-7 Catalog No: AG0026IE MDL No:
Product Description
Catalog Number:
AG0026IE
Chemical Name:
Tetracosanoic acid, dotriacontyl ester
CAS Number:
178957-22-7
Molecular Formula:
C56H112O2
Molecular Weight:
817.4873
IUPAC Name:
dotriacontyl tetracosanoate
InChI:
InChI=1S/C56H112O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-49-51-53-55-58-56(57)54-52-50-48-46-44-42-40-38-36-34-24-22-20-18-16-14-12-10-8-6-4-2/h3-55H2,1-2H3
InChI Key:
KNQSBWCDYFUVMU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC
Properties
Complexity:
717
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
816.866g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
817.51g/mol
Monoisotopic Mass:
816.866g/mol
Rotatable Bond Count:
54
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
28.2
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