bismuth 4-carboxy-2,6-dihydroxyphenolate

C7H5BiO5+2 — CID 54698176

IUPACbismuth 4-carboxy-2,6-dihydroxyphenolate
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3]
InChIInChI=1S/C7H6O5.Bi/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+3/p-1
InChIKeyBEIUQZLRZPIFSS-UHFFFAOYSA-M
MW378.09 g/mol
LogP-0.51
Rot. Bonds1

About bismuth 4-carboxy-2,6-dihydroxyphenolate

bismuth 4-carboxy-2,6-dihydroxyphenolate (PubChem CID 54698176) has the molecular formula C7H5BiO5+2 and a molecular weight of 378.09 g/mol. Its IUPAC name is bismuth 4-carboxy-2,6-dihydroxyphenolate.

Molecular Properties

Compound Namebismuth 4-carboxy-2,6-dihydroxyphenolate
PubChem CID54698176
Molecular FormulaC7H5BiO5+2
Molecular Weight378.09 g/mol
Exact Mass377.99
IUPAC Namebismuth 4-carboxy-2,6-dihydroxyphenolate
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3]
InChIInChI=1S/C7H6O5.Bi/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+3/p-1
InChIKeyBEIUQZLRZPIFSS-UHFFFAOYSA-M
XLogP-0.51
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.09
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)
CID 175210164
bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
CID 54682471
tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
CID 175913194
trisodium;tris(4-carboxy-2,6-dihydroxyphenolate)
CID 139835133
hexakis(4-carboxy-2,6-dihydroxyphenolate);gadolinium(3+);scandium(3+)
CID 173410095
4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride
CID 174633129
4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate
CID 54750826
4-carboxy-2,6-dihydroxyphenolate;tetraethylazanium
CID 54723196
4-carboxy-2,6-dihydroxyphenolate;piperazin-1-ium
CID 87904175
bismuth;5-carboxybenzene-1,2,3-triolate;molecular hydrogen;bis(3,4,5-trihydroxybenzoic acid)
CID 170844576
3,4,5-trihydroxybenzoic acid
CID 370
lithium 5-carboxy-2,3-dihydroxyphenolate
CID 102269214

Frequently Asked Questions

What is the IUPAC name of bismuth 4-carboxy-2,6-dihydroxyphenolate?
The IUPAC name of bismuth 4-carboxy-2,6-dihydroxyphenolate (CID 54698176) is bismuth 4-carboxy-2,6-dihydroxyphenolate.
What is the SMILES notation for bismuth 4-carboxy-2,6-dihydroxyphenolate?
The canonical SMILES for bismuth 4-carboxy-2,6-dihydroxyphenolate is O=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3].
What is the InChIKey of bismuth 4-carboxy-2,6-dihydroxyphenolate?
The InChIKey is BEIUQZLRZPIFSS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O5.Bi/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);/q;+3/p-1.
What are the key properties of bismuth 4-carboxy-2,6-dihydroxyphenolate?
bismuth 4-carboxy-2,6-dihydroxyphenolate has a molecular weight of 378.09 g/mol, XLogP of -0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth 4-carboxy-2,6-dihydroxyphenolate is sourced from PubChem (CID 54698176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).