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13688-82-9 | Phosphonic acid, P-methyl-, mono(2-ethylhexyl) ester
CAS No: 13688-82-9 Catalog No: AG0012J1 MDL No:
Product Description
Catalog Number:
AG0012J1
Chemical Name:
Phosphonic acid, P-methyl-, mono(2-ethylhexyl) ester
CAS Number:
13688-82-9
Molecular Formula:
C9H20O3P-
Molecular Weight:
207.2271
IUPAC Name:
2-ethylhexoxy(methyl)phosphinate
InChI:
InChI=1S/C9H21O3P/c1-4-6-7-9(5-2)8-12-13(3,10)11/h9H,4-8H2,1-3H3,(H,10,11)/p-1
InChI Key:
NBJYMLJVPOYQDR-UHFFFAOYSA-M
SMILES:
CCCCC(COP(=O)(C)[O-])CC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.115g/mol
Formal Charge:
-1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.23g/mol
Monoisotopic Mass:
207.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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