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6301-60-6 | 4-iodophthalic acid
CAS No: 6301-60-6 Catalog No: AG00EJQY MDL No:MFCD00673159
Product Description
Catalog Number:
AG00EJQY
Chemical Name:
4-iodophthalic acid
CAS Number:
6301-60-6
Molecular Formula:
C8H5IO4
Molecular Weight:
292.0274
MDL Number:
MFCD00673159
IUPAC Name:
4-iodophthalic acid
InChI:
InChI=1S/C8H5IO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
NVBFLFQAJXJZIE-UHFFFAOYSA-N
SMILES:
Ic1ccc(c(c1)C(=O)O)C(=O)O
EC Number:
228-594-9
NSC Number:
42483
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.923g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.028g/mol
Monoisotopic Mass:
291.923g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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