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287393-80-0 | Benzeneacetic acid, 2-amino-5-iodo-α-oxo-, potassium salt (1:1)
CAS No: 287393-80-0 Catalog No: AG002WB0 MDL No:
Product Description
Catalog Number:
AG002WB0
Chemical Name:
Benzeneacetic acid, 2-amino-5-iodo-α-oxo-, potassium salt (1:1)
CAS Number:
287393-80-0
Molecular Formula:
C8H5IKNO3
Molecular Weight:
329.1330
IUPAC Name:
potassium;2-(2-amino-5-iodophenyl)-2-oxoacetate
InChI:
InChI=1S/C8H6INO3.K/c9-4-1-2-6(10)5(3-4)7(11)8(12)13;/h1-3H,10H2,(H,12,13);/q;+1/p-1
InChI Key:
PCGJAGJPLZJEFR-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(=O)c1cc(I)ccc1N.[K+]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.895g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.135g/mol
Monoisotopic Mass:
328.895g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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