methanone;technetium

C3H3O3Tc-3 — CID 87143349

IUPACmethanone;technetium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[Tc]
InChIInChI=1S/3CHO.Tc/c3*1-2;/h3*1H;/q3*-1;
InChIKeyWSLUIRVITHXXLN-UHFFFAOYSA-N
MW185.05 g/mol
LogP-0.82
Rot. Bonds

About methanone;technetium

methanone;technetium (PubChem CID 87143349) has the molecular formula C3H3O3Tc-3 and a molecular weight of 185.05 g/mol. Its IUPAC name is methanone;technetium.

Molecular Properties

Compound Namemethanone;technetium
PubChem CID87143349
Molecular FormulaC3H3O3Tc-3
Molecular Weight185.05 g/mol
Exact Mass183.92
IUPAC Namemethanone;technetium
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[Tc]
InChIInChI=1S/3CHO.Tc/c3*1-2;/h3*1H;/q3*-1;
InChIKeyWSLUIRVITHXXLN-UHFFFAOYSA-N
XLogP-0.82
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 5-0.82
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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Related Compounds

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methanone;rhodium
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CID 23382582
disodium;methanone
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sodium;carbanide;methanone
CID 58059383
methanone;rhodium;ruthenium(2+)
CID 173321808

Frequently Asked Questions

What is the IUPAC name of methanone;technetium?
The IUPAC name of methanone;technetium (CID 87143349) is methanone;technetium.
What is the SMILES notation for methanone;technetium?
The canonical SMILES for methanone;technetium is [CH-]=O.[CH-]=O.[CH-]=O.[Tc].
What is the InChIKey of methanone;technetium?
The InChIKey is WSLUIRVITHXXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHO.Tc/c3*1-2;/h3*1H;/q3*-1;.
What are the key properties of methanone;technetium?
methanone;technetium has a molecular weight of 185.05 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;technetium is sourced from PubChem (CID 87143349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).