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116116-20-2 | Phosphonic acid, sec-octyl-, monobutyl ester (9CI)
CAS No: 116116-20-2 Catalog No: AG000BO2 MDL No:
Product Description
Catalog Number:
AG000BO2
Chemical Name:
Phosphonic acid, sec-octyl-, monobutyl ester (9CI)
CAS Number:
116116-20-2
Molecular Formula:
C12H26O3P-
Molecular Weight:
249.3068
IUPAC Name:
butoxy(octan-2-yl)phosphinate
InChI:
InChI=1S/C12H27O3P/c1-4-6-8-9-10-12(3)16(13,14)15-11-7-5-2/h12H,4-11H2,1-3H3,(H,13,14)/p-1
InChI Key:
KVEJKOVVWWARAW-UHFFFAOYSA-M
SMILES:
CCCCCCC(P(=O)(OCCCC)[O-])C
Properties
Complexity:
198
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:
10
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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