CID 58633449

C6H5O5Rh- — CID 58633449

IUPAC—
SMILESCC(=O)OCc1[c-]oc(=O)o1.[Rh]
InChIInChI=1S/C6H5O5.Rh/c1-4(7)9-2-5-3-10-6(8)11-5;/h2H2,1H3;/q-1;
InChIKeyXUQWPHGTCDEISQ-UHFFFAOYSA-N
MW260.01 g/mol
LogP0.09
Rot. Bonds2

About CID 58633449

CID 58633449 (PubChem CID 58633449) has the molecular formula C6H5O5Rh- and a molecular weight of 260.01 g/mol.

Molecular Properties

Compound NameCID 58633449
PubChem CID58633449
Molecular FormulaC6H5O5Rh-
Molecular Weight260.01 g/mol
Exact Mass259.92
IUPAC Name—
SMILESCC(=O)OCc1[c-]oc(=O)o1.[Rh]
InChIInChI=1S/C6H5O5.Rh/c1-4(7)9-2-5-3-10-6(8)11-5;/h2H2,1H3;/q-1;
InChIKeyXUQWPHGTCDEISQ-UHFFFAOYSA-N
XLogP0.09
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.01
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 CID 58633449?
The IUPAC name of CID 58633449 (CID 58633449) is not available.
What is the SMILES notation for CID 58633449?
The canonical SMILES for CID 58633449 is CC(=O)OCc1[c-]oc(=O)o1.[Rh].
What is the InChIKey of CID 58633449?
The InChIKey is XUQWPHGTCDEISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O5.Rh/c1-4(7)9-2-5-3-10-6(8)11-5;/h2H2,1H3;/q-1;.
What are the key properties of CID 58633449?
CID 58633449 has a molecular weight of 260.01 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58633449 is sourced from PubChem (CID 58633449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).