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1333-21-7

1333-21-7 | Phenol, dinonyl-, 1,1',1''-phosphite

CAS No: 1333-21-7 Catalog No: AG0014KG MDL No:

Product Description

Catalog Number:
AG0014KG
Chemical Name:
Phenol, dinonyl-, 1,1',1''-phosphite
CAS Number:
1333-21-7
Molecular Formula:
C72H123O3P
Molecular Weight:
1067.7190
IUPAC Name:
tris[3,5-di(nonyl)phenyl] phosphite
InChI:
InChI=1S/C72H123O3P/c1-7-13-19-25-31-37-43-49-64-55-65(50-44-38-32-26-20-14-8-2)59-70(58-64)73-76(74-71-60-66(51-45-39-33-27-21-15-9-3)56-67(61-71)52-46-40-34-28-22-16-10-4)75-72-62-68(53-47-41-35-29-23-17-11-5)57-69(63-72)54-48-42-36-30-24-18-12-6/h55-63H,7-54H2,1-6H3
InChI Key:
WRSPWQHUHVRNFV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1c(cccc1CCCCCCCCC)OP(Oc1cccc(c1CCCCCCCCC)CCCCCCCCC)Oc1cccc(c1CCCCCCCCC)CCCCCCCCC
EC Number:
215-581-8

Properties

Complexity:
974  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1066.921g/mol
Formal Charge:
0
Heavy Atom Count:
76  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1067.747g/mol
Monoisotopic Mass:
1066.921g/mol
Rotatable Bond Count:
54  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
33  

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