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115-88-8 | Phosphoric acid, octyl diphenyl ester
CAS No: 115-88-8 Catalog No: AG000FKA MDL No:
Product Description
Catalog Number:
AG000FKA
Chemical Name:
Phosphoric acid, octyl diphenyl ester
CAS Number:
115-88-8
Molecular Formula:
C20H27O4P
Molecular Weight:
362.3997
IUPAC Name:
octyl diphenyl phosphate
InChI:
InChI=1S/C20H27O4P/c1-2-3-4-5-6-13-18-22-25(21,23-19-14-9-7-10-15-19)24-20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
InChI Key:
YAFOVCNAQTZDQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
EC Number:
204-113-8
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.165g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.406g/mol
Monoisotopic Mass:
362.165g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Literature
| Title | Journal |
|---|---|
| Development of a microporous membrane liquid-liquid extractor for organophosphate esters in human blood plasma: identification of triphenyl phosphate and octyl diphenyl phosphate in donor plasma. | Journal of chromatography. B, Biomedical sciences and applications 20010505 |
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