methanone;rhenium-188;trihydrate

C3H9O6Re-3 — CID 58898452

IUPACmethanone;rhenium-188;trihydrate
SMILESO.O.O.[188Re].[CH-]=O.[CH-]=O.[CH-]=O
InChIInChI=1S/3CHO.3H2O.Re/c3*1-2;;;;/h3*1H;3*1H2;/q3*-1;;;;/i;;;;;;1+2
InChIKeyBSZIEZGRYQGJMW-ZKPGHZHMSA-N
MW329.06 g/mol
LogP-3.30
Rot. Bonds

About methanone;rhenium-188;trihydrate

methanone;rhenium-188;trihydrate (PubChem CID 58898452) has the molecular formula C3H9O6Re-3 and a molecular weight of 329.06 g/mol. Its IUPAC name is methanone;rhenium-188;trihydrate.

Molecular Properties

Compound Namemethanone;rhenium-188;trihydrate
PubChem CID58898452
Molecular FormulaC3H9O6Re-3
Molecular Weight329.06 g/mol
Exact Mass329.00
IUPAC Namemethanone;rhenium-188;trihydrate
SMILESO.O.O.[188Re].[CH-]=O.[CH-]=O.[CH-]=O
InChIInChI=1S/3CHO.3H2O.Re/c3*1-2;;;;/h3*1H;3*1H2;/q3*-1;;;;/i;;;;;;1+2
InChIKeyBSZIEZGRYQGJMW-ZKPGHZHMSA-N
XLogP-3.30
TPSA145.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.06
LogP ≤ 5-3.30
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 methanone;rhenium-188;trihydrate?
The IUPAC name of methanone;rhenium-188;trihydrate (CID 58898452) is methanone;rhenium-188;trihydrate.
What is the SMILES notation for methanone;rhenium-188;trihydrate?
The canonical SMILES for methanone;rhenium-188;trihydrate is O.O.O.[188Re].[CH-]=O.[CH-]=O.[CH-]=O.
What is the InChIKey of methanone;rhenium-188;trihydrate?
The InChIKey is BSZIEZGRYQGJMW-ZKPGHZHMSA-N. The full InChI is InChI=1S/3CHO.3H2O.Re/c3*1-2;;;;/h3*1H;3*1H2;/q3*-1;;;;/i;;;;;;1+2.
What are the key properties of methanone;rhenium-188;trihydrate?
methanone;rhenium-188;trihydrate has a molecular weight of 329.06 g/mol, XLogP of -3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanone;rhenium-188;trihydrate is sourced from PubChem (CID 58898452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).