CID 59487978

C8H5BiO3 — CID 59487978

IUPAC—
SMILESO=C(O[Bi])C(=O)c1ccccc1
InChIInChI=1S/C8H6O3.Bi/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+1/p-1
InChIKeyFLAPMVWIKKRZDQ-UHFFFAOYSA-M
MW358.11 g/mol
LogP0.50
Rot. Bonds2

About CID 59487978

CID 59487978 (PubChem CID 59487978) has the molecular formula C8H5BiO3 and a molecular weight of 358.11 g/mol.

Molecular Properties

Compound NameCID 59487978
PubChem CID59487978
Molecular FormulaC8H5BiO3
Molecular Weight358.11 g/mol
Exact Mass358.00
IUPAC Name—
SMILESO=C(O[Bi])C(=O)c1ccccc1
InChIInChI=1S/C8H6O3.Bi/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+1/p-1
InChIKeyFLAPMVWIKKRZDQ-UHFFFAOYSA-M
XLogP0.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.11
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
carbamoyl 2-oxo-2-phenylacetate
CID 151490508
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
3-(2-oxo-2-phenylacetyl)oxypropyl 2-oxo-2-phenylacetate
CID 71201170
ethyl 2-oxo-2-phenylacetate
CID 15349
nitro 2-oxo-2-phenylacetate
CID 68906140
dimethyl-(2-oxo-2-phenylacetyl)oxysulfanium
CID 134838023

Frequently Asked Questions

What is the IUPAC name of CID 59487978?
The IUPAC name of CID 59487978 (CID 59487978) is not available.
What is the SMILES notation for CID 59487978?
The canonical SMILES for CID 59487978 is O=C(O[Bi])C(=O)c1ccccc1.
What is the InChIKey of CID 59487978?
The InChIKey is FLAPMVWIKKRZDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O3.Bi/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5H,(H,10,11);/q;+1/p-1.
What are the key properties of CID 59487978?
CID 59487978 has a molecular weight of 358.11 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59487978 is sourced from PubChem (CID 59487978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).