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151169-48-1

151169-48-1 | 2,3-Hexanedione, 1-(phosphonooxy)-

CAS No: 151169-48-1 Catalog No: AG001N59 MDL No:

Product Description

Catalog Number:
AG001N59
Chemical Name:
2,3-Hexanedione, 1-(phosphonooxy)-
CAS Number:
151169-48-1
Molecular Formula:
C6H11O6P
Molecular Weight:
210.1217
IUPAC Name:
2,3-dioxohexyl dihydrogen phosphate
InChI:
InChI=1S/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)
InChI Key:
PGGSLYKMBFNJFV-UHFFFAOYSA-N
SMILES:
CCCC(=O)C(=O)COP(=O)(O)O

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.029g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
210.122g/mol
Monoisotopic Mass:
210.029g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

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