CID 58604669

C4H5MnO3-4 — CID 58604669

IUPAC—
SMILES[C-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mn]
InChIInChI=1S/2CHO.CO.CH3.Mn/c3*1-2;;/h2*1H;;1H3;/q4*-1;
InChIKeySTOMPCWHCIMLIV-UHFFFAOYSA-N
MW156.02 g/mol
LogP-0.50
Rot. Bonds

About CID 58604669

CID 58604669 (PubChem CID 58604669) has the molecular formula C4H5MnO3-4 and a molecular weight of 156.02 g/mol.

Molecular Properties

Compound NameCID 58604669
PubChem CID58604669
Molecular FormulaC4H5MnO3-4
Molecular Weight156.02 g/mol
Exact Mass155.96
IUPAC Name—
SMILES[C-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mn]
InChIInChI=1S/2CHO.CO.CH3.Mn/c3*1-2;;/h2*1H;;1H3;/q4*-1;
InChIKeySTOMPCWHCIMLIV-UHFFFAOYSA-N
XLogP-0.50
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.02
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58604669?
The IUPAC name of CID 58604669 (CID 58604669) is not available.
What is the SMILES notation for CID 58604669?
The canonical SMILES for CID 58604669 is [C-]=O.[CH-]=O.[CH-]=O.[CH3-].[Mn].
What is the InChIKey of CID 58604669?
The InChIKey is STOMPCWHCIMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHO.CO.CH3.Mn/c3*1-2;;/h2*1H;;1H3;/q4*-1;.
What are the key properties of CID 58604669?
CID 58604669 has a molecular weight of 156.02 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58604669 is sourced from PubChem (CID 58604669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).