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20403-99-0 | Phosphoric acid, mono(2-ethylhexyl) monophenyl ester
CAS No: 20403-99-0 Catalog No: AG0029A1 MDL No:
Product Description
Catalog Number:
AG0029A1
Chemical Name:
Phosphoric acid, mono(2-ethylhexyl) monophenyl ester
CAS Number:
20403-99-0
Molecular Formula:
C14H22O4P-
Molecular Weight:
285.2958
IUPAC Name:
2-ethylhexyl phenyl phosphate
InChI:
InChI=1S/C14H23O4P/c1-3-5-9-13(4-2)12-17-19(15,16)18-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,15,16)/p-1
InChI Key:
UGIWGFXQNPWKPR-UHFFFAOYSA-M
SMILES:
CCCCC(COP(=O)(Oc1ccccc1)[O-])CC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.126g/mol
Formal Charge:
-1
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.3g/mol
Monoisotopic Mass:
285.126g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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