formic acid;titanium

C4H8O8Ti — CID 18781183

IUPACformic acid;titanium
SMILESO=CO.O=CO.O=CO.O=CO.[Ti]
InChIInChI=1S/4CH2O2.Ti/c4*2-1-3;/h4*1H,(H,2,3);
InChIKeySNPDJJBSGPVDJQ-UHFFFAOYSA-N
MW231.97 g/mol
LogP-1.20
Rot. Bonds

About formic acid;titanium

formic acid;titanium (PubChem CID 18781183) has the molecular formula C4H8O8Ti and a molecular weight of 231.97 g/mol. Its IUPAC name is formic acid;titanium.

Molecular Properties

Compound Nameformic acid;titanium
PubChem CID18781183
Molecular FormulaC4H8O8Ti
Molecular Weight231.97 g/mol
Exact Mass231.97
IUPAC Nameformic acid;titanium
SMILESO=CO.O=CO.O=CO.O=CO.[Ti]
InChIInChI=1S/4CH2O2.Ti/c4*2-1-3;/h4*1H,(H,2,3);
InChIKeySNPDJJBSGPVDJQ-UHFFFAOYSA-N
XLogP-1.20
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.97
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;titanium?
The IUPAC name of formic acid;titanium (CID 18781183) is formic acid;titanium.
What is the SMILES notation for formic acid;titanium?
The canonical SMILES for formic acid;titanium is O=CO.O=CO.O=CO.O=CO.[Ti].
What is the InChIKey of formic acid;titanium?
The InChIKey is SNPDJJBSGPVDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH2O2.Ti/c4*2-1-3;/h4*1H,(H,2,3);.
What are the key properties of formic acid;titanium?
formic acid;titanium has a molecular weight of 231.97 g/mol, XLogP of -1.20, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;titanium is sourced from PubChem (CID 18781183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).