CID 168837766

CH2Na2O2Pd — CID 168837766

IUPAC—
SMILESO=CO.[Na].[Na].[Pd]
InChIInChI=1S/CH2O2.2Na.Pd/c2-1-3;;;/h1H,(H,2,3);;;
InChIKeyDGKOSLZQAKOYDX-UHFFFAOYSA-N
MW198.43 g/mol
LogP-1.06
Rot. Bonds

About CID 168837766

CID 168837766 (PubChem CID 168837766) has the molecular formula CH2Na2O2Pd and a molecular weight of 198.43 g/mol.

Molecular Properties

Compound NameCID 168837766
PubChem CID168837766
Molecular FormulaCH2Na2O2Pd
Molecular Weight198.43 g/mol
Exact Mass197.89
IUPAC Name—
SMILESO=CO.[Na].[Na].[Pd]
InChIInChI=1S/CH2O2.2Na.Pd/c2-1-3;;;/h1H,(H,2,3);;;
InChIKeyDGKOSLZQAKOYDX-UHFFFAOYSA-N
XLogP-1.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.43
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 168837766?
The IUPAC name of CID 168837766 (CID 168837766) is not available.
What is the SMILES notation for CID 168837766?
The canonical SMILES for CID 168837766 is O=CO.[Na].[Na].[Pd].
What is the InChIKey of CID 168837766?
The InChIKey is DGKOSLZQAKOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.2Na.Pd/c2-1-3;;;/h1H,(H,2,3);;;.
What are the key properties of CID 168837766?
CID 168837766 has a molecular weight of 198.43 g/mol, XLogP of -1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168837766 is sourced from PubChem (CID 168837766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).