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89678-43-3 | Diphosphoric acid, 2-ethylhexyl ester
CAS No: 89678-43-3 Catalog No: AG0044I5 MDL No:
Product Description
Catalog Number:
AG0044I5
Chemical Name:
Diphosphoric acid, 2-ethylhexyl ester
CAS Number:
89678-43-3
Molecular Formula:
C8H17O7P2---
Molecular Weight:
287.1639
IUPAC Name:
[2-ethylhexoxy(oxido)phosphoryl] phosphate
InChI:
InChI=1S/C8H20O7P2/c1-3-5-6-8(4-2)7-14-17(12,13)15-16(9,10)11/h8H,3-7H2,1-2H3,(H,12,13)(H2,9,10,11)/p-3
InChI Key:
ZKKKYAXUVWVZSQ-UHFFFAOYSA-K
SMILES:
CCCCC(COP(=O)(OP(=O)([O-])[O-])[O-])CC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.045g/mol
Formal Charge:
-3
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.165g/mol
Monoisotopic Mass:
287.045g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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