Home Carboxys potassium hydrogen [2-carboxy-2-(propan-2-ylidene)ethyl]phosphonate

potassium hydrogen [2-carboxy-2-(propan-2-ylidene)ethyl]phosphonate

CAS No.:
117012-81-4
Catalog Number:
AG01C5ME
Molecular Formula:
C6H10KO5P
Molecular Weight:
232.2127
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Product Description
Catalog Number:
AG01C5ME
Chemical Name:
potassium hydrogen [2-carboxy-2-(propan-2-ylidene)ethyl]phosphonate
CAS Number:
117012-81-4
Molecular Formula:
C6H10KO5P
Molecular Weight:
232.2127
MDL Number:
MFCD29991430
IUPAC Name:
potassium;(2-carboxy-3-methylbut-2-enyl)-hydroxyphosphinate
InChI:
InChI=1S/C6H11O5P.K/c1-4(2)5(6(7)8)3-12(9,10)11;/h3H2,1-2H3,(H,7,8)(H2,9,10,11);/q;+1/p-1
InChI Key:
PYDQWNOGGFMXGC-UHFFFAOYSA-M
SMILES:
CC(=C(C(=O)O)CP(=O)(O)[O-])C.[K+]
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.99g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.213g/mol
Monoisotopic Mass:
231.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties