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90917-38-7 | 2-hydroxy-4-[(iodoacetyl)(methyl)amino]benzoic acid
CAS No: 90917-38-7 Catalog No: AG006GFO MDL No:
Product Description
Catalog Number:
AG006GFO
Chemical Name:
2-hydroxy-4-[(iodoacetyl)(methyl)amino]benzoic acid
CAS Number:
90917-38-7
Molecular Formula:
C10H10INO4
Molecular Weight:
335.0952
IUPAC Name:
2-hydroxy-4-[(2-iodoacetyl)-methylamino]benzoic acid
InChI:
InChI=1S/C10H10INO4/c1-12(9(14)5-11)6-2-3-7(10(15)16)8(13)4-6/h2-4,13H,5H2,1H3,(H,15,16)
InChI Key:
IEEJKHWBXMHLNO-UHFFFAOYSA-N
SMILES:
ICC(=O)N(c1ccc(c(c1)O)C(=O)O)C
NSC Number:
63022
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.097g/mol
Monoisotopic Mass:
334.965g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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