dioxotitanium nitrite

NO4Ti- — CID 174803453

IUPACdioxotitanium nitrite
SMILESO=N[O-].O=[Ti]=O
InChIInChI=1S/HNO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/p-1
InChIKeyTXMSOIVJAWAODM-UHFFFAOYSA-M
MW125.87 g/mol
LogP0.01
Rot. Bonds

About dioxotitanium nitrite

dioxotitanium nitrite (PubChem CID 174803453) has the molecular formula NO4Ti- and a molecular weight of 125.87 g/mol. Its IUPAC name is dioxotitanium nitrite.

Molecular Properties

Compound Namedioxotitanium nitrite
PubChem CID174803453
Molecular FormulaNO4Ti-
Molecular Weight125.87 g/mol
Exact Mass125.93
IUPAC Namedioxotitanium nitrite
SMILESO=N[O-].O=[Ti]=O
InChIInChI=1S/HNO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/p-1
InChIKeyTXMSOIVJAWAODM-UHFFFAOYSA-M
XLogP0.01
TPSA86.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.87
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dioxotitanium nitrite?
The IUPAC name of dioxotitanium nitrite (CID 174803453) is dioxotitanium nitrite.
What is the SMILES notation for dioxotitanium nitrite?
The canonical SMILES for dioxotitanium nitrite is O=N[O-].O=[Ti]=O.
What is the InChIKey of dioxotitanium nitrite?
The InChIKey is TXMSOIVJAWAODM-UHFFFAOYSA-M. The full InChI is InChI=1S/HNO2.2O.Ti/c2-1-3;;;/h(H,2,3);;;/p-1.
What are the key properties of dioxotitanium nitrite?
dioxotitanium nitrite has a molecular weight of 125.87 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium nitrite is sourced from PubChem (CID 174803453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).