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89547-17-1 | Octadecanoic acid, 2-butyl-, 2,3-dihydroxypropyl ester
CAS No: 89547-17-1 Catalog No: AG0040GL MDL No:
Product Description
Catalog Number:
AG0040GL
Chemical Name:
Octadecanoic acid, 2-butyl-, 2,3-dihydroxypropyl ester
CAS Number:
89547-17-1
Molecular Formula:
C25H50O4
Molecular Weight:
414.6621
IUPAC Name:
2,3-dihydroxypropyl 2-butyloctadecanoate
InChI:
InChI=1S/C25H50O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-23(19-6-4-2)25(28)29-22-24(27)21-26/h23-24,26-27H,3-22H2,1-2H3
InChI Key:
RNMMARQNFRCWSR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCC(C(=O)OCC(CO)O)CCCC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.371g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
414.671g/mol
Monoisotopic Mass:
414.371g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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