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89243-88-9 | 1,7-Heptanediol, 1,1,7,7-tetrakis(diphenylphosphinyl)-
CAS No: 89243-88-9 Catalog No: AG00448Q MDL No:
Product Description
Catalog Number:
AG00448Q
Chemical Name:
1,7-Heptanediol, 1,1,7,7-tetrakis(diphenylphosphinyl)-
CAS Number:
89243-88-9
Molecular Formula:
C55H52O6P4
Molecular Weight:
932.8928
IUPAC Name:
1,1,7,7-tetrakis(diphenylphosphoryl)heptane-1,7-diol
InChI:
InChI=1S/C55H52O6P4/c56-54(62(58,46-28-10-1-11-29-46)47-30-12-2-13-31-47,63(59,48-32-14-3-15-33-48)49-34-16-4-17-35-49)44-26-9-27-45-55(57,64(60,50-36-18-5-19-37-50)51-38-20-6-21-39-51)65(61,52-40-22-7-23-41-52)53-42-24-8-25-43-53/h1-8,10-25,28-43,56-57H,9,26-27,44-45H2
InChI Key:
SFPSFGJLRIWIOE-UHFFFAOYSA-N
SMILES:
OC(P(=O)(c1ccccc1)c1ccccc1)(P(=O)(c1ccccc1)c1ccccc1)CCCCCC(P(=O)(c1ccccc1)c1ccccc1)(P(=O)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
1330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
932.271g/mol
Formal Charge:
0
Heavy Atom Count:
65
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
932.91g/mol
Monoisotopic Mass:
932.271g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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