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90293-79-1

90293-79-1 | Hexacosanoic acid, hexadecyl ester

CAS No: 90293-79-1 Catalog No: AG006GLS MDL No:

Product Description

Catalog Number:
AG006GLS
Chemical Name:
Hexacosanoic acid, hexadecyl ester
CAS Number:
90293-79-1
Molecular Formula:
C42H84O2
Molecular Weight:
621.1152
IUPAC Name:
hexadecyl hexacosanoate
InChI:
InChI=1S/C42H84O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42(43)44-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3
InChI Key:
IIWLDEGUWUNAAK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

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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