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137248-07-8 | Phosphonic acid, (1-methylpropyl)-, mono(1-methylheptyl) ester (9CI)
CAS No: 137248-07-8 Catalog No: AG0012ZI MDL No:
Product Description
Catalog Number:
AG0012ZI
Chemical Name:
Phosphonic acid, (1-methylpropyl)-, mono(1-methylheptyl) ester (9CI)
CAS Number:
137248-07-8
Molecular Formula:
C12H26O3P-
Molecular Weight:
249.3068
IUPAC Name:
butan-2-yl(octan-2-yloxy)phosphinate
InChI:
InChI=1S/C12H27O3P/c1-5-7-8-9-10-11(3)15-16(13,14)12(4)6-2/h11-12H,5-10H2,1-4H3,(H,13,14)/p-1
InChI Key:
SHWOKZBSZUTEID-UHFFFAOYSA-M
SMILES:
CCCCCCC(OP(=O)(C(CC)C)[O-])C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.162g/mol
Formal Charge:
-1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.311g/mol
Monoisotopic Mass:
249.162g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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