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555-45-3 | Propane-1,2,3-triyl tritetradecanoate
CAS No: 555-45-3 Catalog No: AG003V4X MDL No:MFCD00036229
Product Description
Catalog Number:
AG003V4X
Chemical Name:
Propane-1,2,3-triyl tritetradecanoate
CAS Number:
555-45-3
Molecular Formula:
C45H86O6
Molecular Weight:
723.1607
MDL Number:
MFCD00036229
IUPAC Name:
2,3-di(tetradecanoyloxy)propyl tetradecanoate
InChI:
InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
InChI Key:
DUXYWXYOBMKGIN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
EC Number:
209-099-7
UNII:
18L31PSR28
NSC Number:
4062
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
722.642g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
723.177g/mol
Monoisotopic Mass:
722.642g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18.7
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