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Bismuth subgallate

C7H5BiO6 — CID 73415769

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide
SMILESO=C(O)c1cc([O-])c([O-])c(O)c1.[Bi+3].[OH-]
InChIInChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3
InChIKeyJAONZGLTYYUPCT-UHFFFAOYSA-K
MW394.09 g/mol
LogP-1.32
Rot. Bonds1

About Bismuth subgallate

Bismuth subgallate (PubChem CID 73415769) has the molecular formula C7H5BiO6 and a molecular weight of 394.09 g/mol. Its IUPAC name is bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide.

Molecular Properties

Compound NameBismuth subgallate
PubChem CID73415769
Molecular FormulaC7H5BiO6
Molecular Weight394.09 g/mol
Exact Mass393.99
IUPAC Namebismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide
SMILESO=C(O)c1cc([O-])c([O-])c(O)c1.[Bi+3].[OH-]
InChIInChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3
InChIKeyJAONZGLTYYUPCT-UHFFFAOYSA-K
XLogP-1.32
TPSA133.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.09
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gallic Acid
CID 370
Propyl Gallate
CID 4947
Protocatechuic Acid
CID 72
2,3-Dihydroxybenzoic Acid
CID 19
Syringic Acid
CID 10742
Dodecyl Gallate
CID 14425
Dopac
CID 547
Butein
CID 5281222
2,4-Dihydroxybenzoic Acid
CID 1491
3,4,5-Trimethoxybenzoic Acid
CID 8357

🔗 Related compound forms

Tautomers, salt forms, and related identifiers from PubChem CID-Parent + CID-Component (110 M edges in our graph).

Parent compound (canonical tautomer)

3,4,5-trihydroxybenzoic acid
CID 370 · 170.12 g/mol

Salt forms / components

3,4,5-trihydroxybenzoic acid
CID 370 · 170.12 g/mol

Frequently Asked Questions

What is the IUPAC name of Bismuth subgallate?
The IUPAC name of Bismuth subgallate (CID 73415769) is bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide.
What is the SMILES notation for Bismuth subgallate?
The canonical SMILES for Bismuth subgallate is O=C(O)c1cc([O-])c([O-])c(O)c1.[Bi+3].[OH-].
What is the InChIKey of Bismuth subgallate?
The InChIKey is JAONZGLTYYUPCT-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+3;/p-3.
What are the key properties of Bismuth subgallate?
Bismuth subgallate has a molecular weight of 394.09 g/mol, XLogP of -1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Bismuth subgallate is sourced from PubChem (CID 73415769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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