CID 175845631

C6H4Li2O4 — CID 175845631

IUPAC—
SMILESO=C1C=C(O)C(=O)C=C1O.[Li].[Li]
InChIInChI=1S/C6H4O4.2Li/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,7,10H;;
InChIKeyNOENUMVBLCFPPC-UHFFFAOYSA-N
MW153.98 g/mol
LogP-0.74
Rot. Bonds

About CID 175845631

CID 175845631 (PubChem CID 175845631) has the molecular formula C6H4Li2O4 and a molecular weight of 153.98 g/mol.

Molecular Properties

Compound NameCID 175845631
PubChem CID175845631
Molecular FormulaC6H4Li2O4
Molecular Weight153.98 g/mol
Exact Mass154.04
IUPAC Name—
SMILESO=C1C=C(O)C(=O)C=C1O.[Li].[Li]
InChIInChI=1S/C6H4O4.2Li/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,7,10H;;
InChIKeyNOENUMVBLCFPPC-UHFFFAOYSA-N
XLogP-0.74
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.98
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175845631?
The IUPAC name of CID 175845631 (CID 175845631) is not available.
What is the SMILES notation for CID 175845631?
The canonical SMILES for CID 175845631 is O=C1C=C(O)C(=O)C=C1O.[Li].[Li].
What is the InChIKey of CID 175845631?
The InChIKey is NOENUMVBLCFPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O4.2Li/c7-3-1-4(8)6(10)2-5(3)9;;/h1-2,7,10H;;.
What are the key properties of CID 175845631?
CID 175845631 has a molecular weight of 153.98 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175845631 is sourced from PubChem (CID 175845631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).