formic acid;oxotitanium

CH2O3Ti — CID 175440261

IUPACformic acid;oxotitanium
SMILESO=CO.O=[Ti]
InChIInChI=1S/CH2O2.O.Ti/c2-1-3;;/h1H,(H,2,3);;
InChIKeyYILLGOJJHWPOAS-UHFFFAOYSA-N
MW109.89 g/mol
LogP-0.42
Rot. Bonds

About formic acid;oxotitanium

formic acid;oxotitanium (PubChem CID 175440261) has the molecular formula CH2O3Ti and a molecular weight of 109.89 g/mol. Its IUPAC name is formic acid;oxotitanium.

Molecular Properties

Compound Nameformic acid;oxotitanium
PubChem CID175440261
Molecular FormulaCH2O3Ti
Molecular Weight109.89 g/mol
Exact Mass109.95
IUPAC Nameformic acid;oxotitanium
SMILESO=CO.O=[Ti]
InChIInChI=1S/CH2O2.O.Ti/c2-1-3;;/h1H,(H,2,3);;
InChIKeyYILLGOJJHWPOAS-UHFFFAOYSA-N
XLogP-0.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.89
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;oxotitanium?
The IUPAC name of formic acid;oxotitanium (CID 175440261) is formic acid;oxotitanium.
What is the SMILES notation for formic acid;oxotitanium?
The canonical SMILES for formic acid;oxotitanium is O=CO.O=[Ti].
What is the InChIKey of formic acid;oxotitanium?
The InChIKey is YILLGOJJHWPOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O2.O.Ti/c2-1-3;;/h1H,(H,2,3);;.
What are the key properties of formic acid;oxotitanium?
formic acid;oxotitanium has a molecular weight of 109.89 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;oxotitanium is sourced from PubChem (CID 175440261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).