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25102-12-9 | Ethylenediaminetetraacetic Acid Dipotassium Salt Dihydrate
CAS No: 25102-12-9 Catalog No: AG0037SE MDL No:MFCD00150036
Product Description
Catalog Number:
AG0037SE
Chemical Name:
Ethylenediaminetetraacetic Acid Dipotassium Salt Dihydrate
CAS Number:
25102-12-9
Molecular Formula:
C10H18K2N2O10
Molecular Weight:
404.4539
MDL Number:
MFCD00150036
IUPAC Name:
dipotassium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
InChI:
InChI=1S/C10H16N2O8.2K.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
InChI Key:
JFROQFOCFOKDKU-UHFFFAOYSA-L
SMILES:
[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)O)CC(=O)O.[K+].[K+].O.O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.024g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
404.455g/mol
Monoisotopic Mass:
404.024g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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