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2082-80-6

2082-80-6 | Phosphorous acid, trioctadecyl ester

CAS No: 2082-80-6 Catalog No: AG002JLD MDL No:MFCD00015090

Product Description

Catalog Number:
AG002JLD
Chemical Name:
Phosphorous acid, trioctadecyl ester
CAS Number:
2082-80-6
Molecular Formula:
C54H111O3P
Molecular Weight:
839.4311
MDL Number:
MFCD00015090
IUPAC Name:
trioctadecyl phosphite
InChI:
InChI=1S/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
InChI Key:
CNUJLMSKURPSHE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
EC Number:
218-217-6
NSC Number:
65487

Properties

Complexity:
599  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
838.827g/mol
Formal Charge:
0
Heavy Atom Count:
58  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
839.453g/mol
Monoisotopic Mass:
838.827g/mol
Rotatable Bond Count:
54  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
26.6  

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