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119090-76-5 | Butanoic acid, 2-(diethoxyphosphinyl)-3-methyl-
CAS No: 119090-76-5 Catalog No: AG000I66 MDL No:MFCD07778464
Product Description
Catalog Number:
AG000I66
Chemical Name:
Butanoic acid, 2-(diethoxyphosphinyl)-3-methyl-
CAS Number:
119090-76-5
Molecular Formula:
C9H19O5P
Molecular Weight:
238.2179
MDL Number:
MFCD07778464
IUPAC Name:
2-diethoxyphosphoryl-3-methylbutanoic acid
InChI:
InChI=1S/C9H19O5P/c1-5-13-15(12,14-6-2)8(7(3)4)9(10)11/h7-8H,5-6H2,1-4H3,(H,10,11)
InChI Key:
NCANBIDOQIQFRJ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C(=O)O)C(C)C)OCC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.22g/mol
Monoisotopic Mass:
238.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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