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115120-48-4 | Phosphoric acid, C10-16-alkyl esters
CAS No: 115120-48-4 Catalog No: AG000GBJ MDL No:
Product Description
Catalog Number:
AG000GBJ
Chemical Name:
Phosphoric acid, C10-16-alkyl esters
CAS Number:
115120-48-4
Molecular Formula:
C31H65O4P
Molecular Weight:
532.8192
IUPAC Name:
didecyl undecyl phosphate
InChI:
InChI=1S/C31H65O4P/c1-4-7-10-13-16-19-22-25-28-31-35-36(32,33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-31H2,1-3H3
InChI Key:
SLUXXEHSJSKZNN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOP(=O)(OCCCCCCCCCC)OCCCCCCCCCC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.462g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
532.831g/mol
Monoisotopic Mass:
532.462g/mol
Rotatable Bond Count:
31
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.6
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