CID 66717184

C8H6Li2O4 — CID 66717184

IUPAC—
SMILESO=C(O)c1ccccc1C(=O)O.[Li].[Li]
InChIInChI=1S/C8H6O4.2Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;
InChIKeyBENSBYSTYJGPBM-UHFFFAOYSA-N
MW180.01 g/mol
LogP0.32
Rot. Bonds2

About CID 66717184

CID 66717184 (PubChem CID 66717184) has the molecular formula C8H6Li2O4 and a molecular weight of 180.01 g/mol.

Molecular Properties

Compound NameCID 66717184
PubChem CID66717184
Molecular FormulaC8H6Li2O4
Molecular Weight180.01 g/mol
Exact Mass180.06
IUPAC Name—
SMILESO=C(O)c1ccccc1C(=O)O.[Li].[Li]
InChIInChI=1S/C8H6O4.2Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;
InChIKeyBENSBYSTYJGPBM-UHFFFAOYSA-N
XLogP0.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.01
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 66717184?
The IUPAC name of CID 66717184 (CID 66717184) is not available.
What is the SMILES notation for CID 66717184?
The canonical SMILES for CID 66717184 is O=C(O)c1ccccc1C(=O)O.[Li].[Li].
What is the InChIKey of CID 66717184?
The InChIKey is BENSBYSTYJGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2Li/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;.
What are the key properties of CID 66717184?
CID 66717184 has a molecular weight of 180.01 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66717184 is sourced from PubChem (CID 66717184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).