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538-23-8 | Trioctanoin
CAS No: 538-23-8 Catalog No: AG0032K3 MDL No:MFCD00036236
Product Description
Catalog Number:
AG0032K3
Chemical Name:
Trioctanoin
CAS Number:
538-23-8
Molecular Formula:
C27H50O6
Molecular Weight:
470.6823
MDL Number:
MFCD00036236
IUPAC Name:
2,3-di(octanoyloxy)propyl octanoate
InChI:
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChI Key:
VLPFTAMPNXLGLX-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC
EC Number:
208-686-5
UNII:
6P92858988
NSC Number:
4059
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.361g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.691g/mol
Monoisotopic Mass:
470.361g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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