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102049-45-6 | Tetracosanedioic acid, 1-methyl ester
CAS No: 102049-45-6 Catalog No: AG0006FZ MDL No:
Product Description
Catalog Number:
AG0006FZ
Chemical Name:
Tetracosanedioic acid, 1-methyl ester
CAS Number:
102049-45-6
Molecular Formula:
C25H47O4-
Molecular Weight:
411.6383
IUPAC Name:
24-methoxy-24-oxotetracosanoate
InChI:
InChI=1S/C25H48O4/c1-29-25(28)23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24(26)27/h2-23H2,1H3,(H,26,27)/p-1
InChI Key:
PNGSGDYODFMVPZ-UHFFFAOYSA-M
SMILES:
COC(=O)CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.347g/mol
Formal Charge:
-1
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.647g/mol
Monoisotopic Mass:
411.347g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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