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78-42-2 | Tris(2-ethylhexyl) phosphate
CAS No: 78-42-2 Catalog No: AG0035RZ MDL No:MFCD00009491
Product Description
Catalog Number:
AG0035RZ
Chemical Name:
Tris(2-ethylhexyl) phosphate
CAS Number:
78-42-2
Molecular Formula:
C24H51O4P
Molecular Weight:
434.6331
MDL Number:
MFCD00009491
IUPAC Name:
tris(2-ethylhexyl) phosphate
InChI:
InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
InChI Key:
GTVWRXDRKAHEAD-UHFFFAOYSA-N
SMILES:
CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC
EC Number:
201-116-6
NSC Number:
407921
RTECS Number:
MP0770000
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.352g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.642g/mol
Monoisotopic Mass:
434.352g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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