dioxotitanium;scandium

O2ScTi — CID 174678870

IUPACdioxotitanium;scandium
SMILESO=[Ti]=O.[Sc]
InChIInChI=1S/2O.Sc.Ti
InChIKeyRTAUAERZCGTJBN-UHFFFAOYSA-N
MW124.82 g/mol
LogP-0.24
Rot. Bonds

About dioxotitanium;scandium

dioxotitanium;scandium (PubChem CID 174678870) has the molecular formula O2ScTi and a molecular weight of 124.82 g/mol. Its IUPAC name is dioxotitanium;scandium.

Molecular Properties

Compound Namedioxotitanium;scandium
PubChem CID174678870
Molecular FormulaO2ScTi
Molecular Weight124.82 g/mol
Exact Mass124.89
IUPAC Namedioxotitanium;scandium
SMILESO=[Ti]=O.[Sc]
InChIInChI=1S/2O.Sc.Ti
InChIKeyRTAUAERZCGTJBN-UHFFFAOYSA-N
XLogP-0.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.82
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dioxotitanium;scandium?
The IUPAC name of dioxotitanium;scandium (CID 174678870) is dioxotitanium;scandium.
What is the SMILES notation for dioxotitanium;scandium?
The canonical SMILES for dioxotitanium;scandium is O=[Ti]=O.[Sc].
What is the InChIKey of dioxotitanium;scandium?
The InChIKey is RTAUAERZCGTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2O.Sc.Ti.
What are the key properties of dioxotitanium;scandium?
dioxotitanium;scandium has a molecular weight of 124.82 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;scandium is sourced from PubChem (CID 174678870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).