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113741-23-4 | Decanoic acid, 3-hydroxy-2-[(1-oxooctyl)oxy]propyl ester
CAS No: 113741-23-4 Catalog No: AG0009I9 MDL No:
Product Description
Catalog Number:
AG0009I9
Chemical Name:
Decanoic acid, 3-hydroxy-2-[(1-oxooctyl)oxy]propyl ester
CAS Number:
113741-23-4
Molecular Formula:
C21H40O5
Molecular Weight:
372.5393
IUPAC Name:
(3-hydroxy-2-octanoyloxypropyl) decanoate
InChI:
InChI=1S/C21H40O5/c1-3-5-7-9-10-12-13-15-20(23)25-18-19(17-22)26-21(24)16-14-11-8-6-4-2/h19,22H,3-18H2,1-2H3
InChI Key:
XDYVDYBOLARYBO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC)CO
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.288g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.546g/mol
Monoisotopic Mass:
372.288g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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