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121877-65-4 | Octadecanoic acid, pentacosyl ester
CAS No: 121877-65-4 Catalog No: AG00166T MDL No:
Product Description
Catalog Number:
AG00166T
Chemical Name:
Octadecanoic acid, pentacosyl ester
CAS Number:
121877-65-4
Molecular Formula:
C43H86O2
Molecular Weight:
635.1417
IUPAC Name:
pentacosyl octadecanoate
InChI:
InChI=1S/C43H86O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-42-45-43(44)41-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChI Key:
FMRVRXSPNFNCQO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.663g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
635.159g/mol
Monoisotopic Mass:
634.663g/mol
Rotatable Bond Count:
41
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
21.2
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