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133331-01-8

133331-01-8 | Octadecanoic acid, [2-ethyl-2-[[2-[(1-oxooctadecyl)oxy]ethoxy]methyl]-1,3-propanediyl]bis(oxy-2,1-ethanediyl) ester (9CI)

CAS No: 133331-01-8 Catalog No: AG0014NO MDL No:

Product Description

Catalog Number:
AG0014NO
Chemical Name:
Octadecanoic acid, [2-ethyl-2-[[2-[(1-oxooctadecyl)oxy]ethoxy]methyl]-1,3-propanediyl]bis(oxy-2,1-ethanediyl) ester (9CI)
CAS Number:
133331-01-8
IUPAC Name:
ethenone;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;octadecanoic acid
InChI:
InChI=1S/3C18H36O2.C6H14O3.C2H2O/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-6(3-7,4-8)5-9;1-2-3/h3*2-17H2,1H3,(H,19,20);7-9H,2-5H2,1H3;1H2
InChI Key:
OLTQRFMAHXWOSJ-UHFFFAOYSA-N

Properties

Complexity:
288  
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1028.919g/mol
Formal Charge:
0
Heavy Atom Count:
72  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
1029.664g/mol
Monoisotopic Mass:
1028.919g/mol
Rotatable Bond Count:
52  
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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