benzene-1,2,3-triol;bismuthane

C6H9BiO3 — CID 174447840

IUPACbenzene-1,2,3-triol;bismuthane
SMILESOc1cccc(O)c1O.[BiH3]
InChIInChI=1S/C6H6O3.Bi.3H/c7-4-2-1-3-5(8)6(4)9;;;;/h1-3,7-9H;;;;
InChIKeyXAENRLZBUJRGJM-UHFFFAOYSA-N
MW338.12 g/mol
LogP-0.38
Rot. Bonds

About benzene-1,2,3-triol;bismuthane

benzene-1,2,3-triol;bismuthane (PubChem CID 174447840) has the molecular formula C6H9BiO3 and a molecular weight of 338.12 g/mol. Its IUPAC name is benzene-1,2,3-triol;bismuthane.

Molecular Properties

Compound Namebenzene-1,2,3-triol;bismuthane
PubChem CID174447840
Molecular FormulaC6H9BiO3
Molecular Weight338.12 g/mol
Exact Mass338.04
IUPAC Namebenzene-1,2,3-triol;bismuthane
SMILESOc1cccc(O)c1O.[BiH3]
InChIInChI=1S/C6H6O3.Bi.3H/c7-4-2-1-3-5(8)6(4)9;;;;/h1-3,7-9H;;;;
InChIKeyXAENRLZBUJRGJM-UHFFFAOYSA-N
XLogP-0.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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CID 175357247
3-methylbenzene-1,2-diol
CID 135381405
3-[2-(2,3-dihydroxyphenyl)phenyl]benzene-1,2-diol
CID 59253869
3-chlorobenzene-1,2-diol;hydroiodide
CID 70006724
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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3-triol;bismuthane?
The IUPAC name of benzene-1,2,3-triol;bismuthane (CID 174447840) is benzene-1,2,3-triol;bismuthane.
What is the SMILES notation for benzene-1,2,3-triol;bismuthane?
The canonical SMILES for benzene-1,2,3-triol;bismuthane is Oc1cccc(O)c1O.[BiH3].
What is the InChIKey of benzene-1,2,3-triol;bismuthane?
The InChIKey is XAENRLZBUJRGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.Bi.3H/c7-4-2-1-3-5(8)6(4)9;;;;/h1-3,7-9H;;;;.
What are the key properties of benzene-1,2,3-triol;bismuthane?
benzene-1,2,3-triol;bismuthane has a molecular weight of 338.12 g/mol, XLogP of -0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3-triol;bismuthane is sourced from PubChem (CID 174447840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).