lithium;benzene;carbon dioxide

C7H5LiO2 — CID 175786374

IUPAClithium;benzene;carbon dioxide
SMILESO=C=O.[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.CO2.Li/c1-2-4-6-5-3-1;2-1-3;/h1-5H;;/q-1;;+1
InChIKeyNPFZUBBARPKJQG-UHFFFAOYSA-N
MW128.06 g/mol
LogP-2.09
Rot. Bonds

About lithium;benzene;carbon dioxide

lithium;benzene;carbon dioxide (PubChem CID 175786374) has the molecular formula C7H5LiO2 and a molecular weight of 128.06 g/mol. Its IUPAC name is lithium;benzene;carbon dioxide.

Molecular Properties

Compound Namelithium;benzene;carbon dioxide
PubChem CID175786374
Molecular FormulaC7H5LiO2
Molecular Weight128.06 g/mol
Exact Mass128.04
IUPAC Namelithium;benzene;carbon dioxide
SMILESO=C=O.[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.CO2.Li/c1-2-4-6-5-3-1;2-1-3;/h1-5H;;/q-1;;+1
InChIKeyNPFZUBBARPKJQG-UHFFFAOYSA-N
XLogP-2.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.06
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;benzene;carbon dioxide?
The IUPAC name of lithium;benzene;carbon dioxide (CID 175786374) is lithium;benzene;carbon dioxide.
What is the SMILES notation for lithium;benzene;carbon dioxide?
The canonical SMILES for lithium;benzene;carbon dioxide is O=C=O.[Li+].[c-]1ccccc1.
What is the InChIKey of lithium;benzene;carbon dioxide?
The InChIKey is NPFZUBBARPKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.CO2.Li/c1-2-4-6-5-3-1;2-1-3;/h1-5H;;/q-1;;+1.
What are the key properties of lithium;benzene;carbon dioxide?
lithium;benzene;carbon dioxide has a molecular weight of 128.06 g/mol, XLogP of -2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;carbon dioxide is sourced from PubChem (CID 175786374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).