carbanide;tris(carbon dioxide);scandium(3+);hydrate

C6H11O7Sc — CID 163198451

IUPACcarbanide;tris(carbon dioxide);scandium(3+);hydrate
SMILESO.O=C=O.O=C=O.O=C=O.[CH3-].[CH3-].[CH3-].[Sc+3]
InChIInChI=1S/3CO2.3CH3.H2O.Sc/c3*2-1-3;;;;;/h;;;3*1H3;1H2;/q;;;3*-1;;+3
InChIKeyWZGWSQXMNPNOMM-UHFFFAOYSA-N
MW240.10 g/mol
LogP-1.23
Rot. Bonds

About carbanide;tris(carbon dioxide);scandium(3+);hydrate

carbanide;tris(carbon dioxide);scandium(3+);hydrate (PubChem CID 163198451) has the molecular formula C6H11O7Sc and a molecular weight of 240.10 g/mol. Its IUPAC name is carbanide;tris(carbon dioxide);scandium(3+);hydrate.

Molecular Properties

Compound Namecarbanide;tris(carbon dioxide);scandium(3+);hydrate
PubChem CID163198451
Molecular FormulaC6H11O7Sc
Molecular Weight240.10 g/mol
Exact Mass240.01
IUPAC Namecarbanide;tris(carbon dioxide);scandium(3+);hydrate
SMILESO.O=C=O.O=C=O.O=C=O.[CH3-].[CH3-].[CH3-].[Sc+3]
InChIInChI=1S/3CO2.3CH3.H2O.Sc/c3*2-1-3;;;;;/h;;;3*1H3;1H2;/q;;;3*-1;;+3
InChIKeyWZGWSQXMNPNOMM-UHFFFAOYSA-N
XLogP-1.23
TPSA133.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 carbanide;tris(carbon dioxide);scandium(3+);hydrate?
The IUPAC name of carbanide;tris(carbon dioxide);scandium(3+);hydrate (CID 163198451) is carbanide;tris(carbon dioxide);scandium(3+);hydrate.
What is the SMILES notation for carbanide;tris(carbon dioxide);scandium(3+);hydrate?
The canonical SMILES for carbanide;tris(carbon dioxide);scandium(3+);hydrate is O.O=C=O.O=C=O.O=C=O.[CH3-].[CH3-].[CH3-].[Sc+3].
What is the InChIKey of carbanide;tris(carbon dioxide);scandium(3+);hydrate?
The InChIKey is WZGWSQXMNPNOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/3CO2.3CH3.H2O.Sc/c3*2-1-3;;;;;/h;;;3*1H3;1H2;/q;;;3*-1;;+3.
What are the key properties of carbanide;tris(carbon dioxide);scandium(3+);hydrate?
carbanide;tris(carbon dioxide);scandium(3+);hydrate has a molecular weight of 240.10 g/mol, XLogP of -1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(carbon dioxide);scandium(3+);hydrate is sourced from PubChem (CID 163198451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).