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138-58-9 | Benzoic acid, 3,4,5-trihydroxy-, hydroxyiodobismuthinyl ester
CAS No: 138-58-9 Catalog No: AG0017T0 MDL No:MFCD00045750
Product Description
Catalog Number:
AG0017T0
Chemical Name:
Benzoic acid, 3,4,5-trihydroxy-, hydroxyiodobismuthinyl ester
CAS Number:
138-58-9
Molecular Formula:
C7H6BiIO6
Molecular Weight:
522.0038
MDL Number:
MFCD00045750
IUPAC Name:
bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
InChI:
InChI=1S/C7H6O5.Bi.HI.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;1H;1H2/q;+3;;/p-3
InChI Key:
UODGKBVALXDDPO-UHFFFAOYSA-K
SMILES:
O[Bi](OC(=O)c1cc(O)c(c(c1)O)O)I
EC Number:
205-333-7
UNII:
2EUX23UCQ8
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.901g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
522.004g/mol
Monoisotopic Mass:
521.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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