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157247-71-7 | 2,4-Pentanedione, 1-(phosphonooxy)-
CAS No: 157247-71-7 Catalog No: AG001PBM MDL No:
Product Description
Catalog Number:
AG001PBM
Chemical Name:
2,4-Pentanedione, 1-(phosphonooxy)-
CAS Number:
157247-71-7
Molecular Formula:
C5H9O6P
Molecular Weight:
196.0951
IUPAC Name:
2,4-dioxopentyl dihydrogen phosphate
InChI:
InChI=1S/C5H9O6P/c1-4(6)2-5(7)3-11-12(8,9)10/h2-3H2,1H3,(H2,8,9,10)
InChI Key:
LRWLMFKDYYVQOB-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)C)COP(=O)(O)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.095g/mol
Monoisotopic Mass:
196.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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