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28570-28-7 | Octacosanoic acid, tetradecyl ester
CAS No: 28570-28-7 Catalog No: AG002VQA MDL No:
Product Description
Catalog Number:
AG002VQA
Chemical Name:
Octacosanoic acid, tetradecyl ester
CAS Number:
28570-28-7
Molecular Formula:
C42H84O2
Molecular Weight:
621.1152
IUPAC Name:
tetradecyl octacosanoate
InChI:
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChI Key:
GFAHMEFYLNYDCH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
620.647g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
621.132g/mol
Monoisotopic Mass:
620.647g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.6
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