bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide

C7H5BiO6 — CID 73415769

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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;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide

bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide (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;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide
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
Octyl Gallate
CID 61253
Syringic Acid
CID 10742
Dodecyl Gallate
CID 14425
Dopac
CID 547
Butein
CID 5281222
2,4,6-Trihydroxybenzoic acid
CID 66520
2,4-Dihydroxybenzoic Acid
CID 1491
3,4,5-Trimethoxybenzoic Acid
CID 8357

Frequently Asked Questions

What is the IUPAC name of bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide?
The IUPAC name of bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide (CID 73415769) is bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide.
What is the SMILES notation for bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide?
The canonical SMILES for bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide is O=C(O)c1cc([O-])c([O-])c(O)c1.[Bi+3].[OH-].
What is the InChIKey of bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide?
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;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide?
bismuth;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide 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;5-carboxy-3-hydroxybenzene-1,2-diolate;hydroxide is sourced from PubChem (CID 73415769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).