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89342-89-2 | Benzoic acid, 4-hydroxy-3-[(hydroxyimino)methyl]-5-iodo-
CAS No: 89342-89-2 Catalog No: AG0086OF MDL No:
Product Description
Catalog Number:
AG0086OF
Chemical Name:
Benzoic acid, 4-hydroxy-3-[(hydroxyimino)methyl]-5-iodo-
CAS Number:
89342-89-2
Molecular Formula:
C8H6INO4
Molecular Weight:
307.0420
IUPAC Name:
4-hydroxy-3-(hydroxyiminomethyl)-5-iodobenzoic acid
InChI:
InChI=1S/C8H6INO4/c9-6-2-4(8(12)13)1-5(3-10-14)7(6)11/h1-3,11,14H,(H,12,13)
InChI Key:
HBEGJDLZTRGBTD-UHFFFAOYSA-N
SMILES:
ON=Cc1cc(cc(c1O)I)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.934g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
307.043g/mol
Monoisotopic Mass:
306.934g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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