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18060-84-9 | Tetracosanoic acid, 22-hydroxy-, methyl ester
CAS No: 18060-84-9 Catalog No: AG00225R MDL No:
Product Description
Catalog Number:
AG00225R
Chemical Name:
Tetracosanoic acid, 22-hydroxy-, methyl ester
CAS Number:
18060-84-9
Molecular Formula:
C25H50O3
Molecular Weight:
398.6627
IUPAC Name:
methyl 22-hydroxytetracosanoate
InChI:
InChI=1S/C25H50O3/c1-3-24(26)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25(27)28-2/h24,26H,3-23H2,1-2H3
InChI Key:
FAMUOPKVDONMAX-UHFFFAOYSA-N
SMILES:
CCC(CCCCCCCCCCCCCCCCCCCCC(=O)OC)O
NSC Number:
115880
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.376g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.672g/mol
Monoisotopic Mass:
398.376g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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