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114155-98-5 | 2-Butanone, 3-hydroxy-4-(phosphonooxy)-
CAS No: 114155-98-5 Catalog No: AG000AP7 MDL No:
Product Description
Catalog Number:
AG000AP7
Chemical Name:
2-Butanone, 3-hydroxy-4-(phosphonooxy)-
CAS Number:
114155-98-5
Molecular Formula:
C4H9O6P
Molecular Weight:
184.0844
IUPAC Name:
(2-hydroxy-3-oxobutyl) dihydrogen phosphate
InChI:
InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)
InChI Key:
OKYHYXLCTGGOLM-UHFFFAOYSA-N
SMILES:
CC(=O)C(COP(=O)(O)O)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
184.084g/mol
Monoisotopic Mass:
184.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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