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50765-21-4 | 3-Hydroxy-5-iodobenzoic acid
CAS No: 50765-21-4 Catalog No: AG00DBUB MDL No:
Product Description
Catalog Number:
AG00DBUB
Chemical Name:
3-Hydroxy-5-iodobenzoic acid
CAS Number:
50765-21-4
Molecular Formula:
C7H5IO3
Molecular Weight:
264.0173
IUPAC Name:
3-hydroxy-5-iodobenzoic acid
InChI:
InChI=1S/C7H5IO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
InChI Key:
TXKUCBMEOVINQX-UHFFFAOYSA-N
SMILES:
Oc1cc(I)cc(c1)C(=O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.928g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.018g/mol
Monoisotopic Mass:
263.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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