CID 173010882

C4H4LiO5 — CID 173010882

IUPAC—
SMILESO=C(O)C1OC1C(=O)O.[Li]
InChIInChI=1S/C4H4O5.Li/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);
InChIKeyXQQMKOHVZUBRFB-UHFFFAOYSA-N
MW139.01 g/mol
LogP-1.46
Rot. Bonds2

About CID 173010882

CID 173010882 (PubChem CID 173010882) has the molecular formula C4H4LiO5 and a molecular weight of 139.01 g/mol.

Molecular Properties

Compound NameCID 173010882
PubChem CID173010882
Molecular FormulaC4H4LiO5
Molecular Weight139.01 g/mol
Exact Mass139.02
IUPAC Name—
SMILESO=C(O)C1OC1C(=O)O.[Li]
InChIInChI=1S/C4H4O5.Li/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);
InChIKeyXQQMKOHVZUBRFB-UHFFFAOYSA-N
XLogP-1.46
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.01
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173010882?
The IUPAC name of CID 173010882 (CID 173010882) is not available.
What is the SMILES notation for CID 173010882?
The canonical SMILES for CID 173010882 is O=C(O)C1OC1C(=O)O.[Li].
What is the InChIKey of CID 173010882?
The InChIKey is XQQMKOHVZUBRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O5.Li/c5-3(6)1-2(9-1)4(7)8;/h1-2H,(H,5,6)(H,7,8);.
What are the key properties of CID 173010882?
CID 173010882 has a molecular weight of 139.01 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173010882 is sourced from PubChem (CID 173010882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).