dioxotitanium;phosphoric acid;titanium

H3O6PTi2 — CID 175067167

IUPACdioxotitanium;phosphoric acid;titanium
SMILESO=P(O)(O)O.O=[Ti]=O.[Ti]
InChIInChI=1S/H3O4P.2O.2Ti/c1-5(2,3)4;;;;/h(H3,1,2,3,4);;;;
InChIKeySCDGQJHDNKRZPJ-UHFFFAOYSA-N
MW225.73 g/mol
LogP-1.17
Rot. Bonds

About dioxotitanium;phosphoric acid;titanium

dioxotitanium;phosphoric acid;titanium (PubChem CID 175067167) has the molecular formula H3O6PTi2 and a molecular weight of 225.73 g/mol. Its IUPAC name is dioxotitanium;phosphoric acid;titanium.

Molecular Properties

Compound Namedioxotitanium;phosphoric acid;titanium
PubChem CID175067167
Molecular FormulaH3O6PTi2
Molecular Weight225.73 g/mol
Exact Mass225.86
IUPAC Namedioxotitanium;phosphoric acid;titanium
SMILESO=P(O)(O)O.O=[Ti]=O.[Ti]
InChIInChI=1S/H3O4P.2O.2Ti/c1-5(2,3)4;;;;/h(H3,1,2,3,4);;;;
InChIKeySCDGQJHDNKRZPJ-UHFFFAOYSA-N
XLogP-1.17
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.73
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 174927495
phosphoric acid;titanium
CID 139211571
phosphoric acid;titanium
CID 173034953
phosphoric acid;titanium;hydrate
CID 173357749
CID 173097851
CID 173097851
CID 22052907
CID 22052907
phosphoric acid;zinc
CID 173400996
phosphoric acid;xenon
CID 159732465
Sodium phosphate dibasic, p.a.
CID 86587427
methane;phosphoric acid
CID 18515646
bis(dioxotitanium);hydrogen peroxide;titanium
CID 174459210
phosphoric acid;octahydrate
CID 173160172

Frequently Asked Questions

What is the IUPAC name of dioxotitanium;phosphoric acid;titanium?
The IUPAC name of dioxotitanium;phosphoric acid;titanium (CID 175067167) is dioxotitanium;phosphoric acid;titanium.
What is the SMILES notation for dioxotitanium;phosphoric acid;titanium?
The canonical SMILES for dioxotitanium;phosphoric acid;titanium is O=P(O)(O)O.O=[Ti]=O.[Ti].
What is the InChIKey of dioxotitanium;phosphoric acid;titanium?
The InChIKey is SCDGQJHDNKRZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P.2O.2Ti/c1-5(2,3)4;;;;/h(H3,1,2,3,4);;;;.
What are the key properties of dioxotitanium;phosphoric acid;titanium?
dioxotitanium;phosphoric acid;titanium has a molecular weight of 225.73 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxotitanium;phosphoric acid;titanium is sourced from PubChem (CID 175067167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).