formic acid;selane

C2H6O4Se — CID 172697692

IUPACformic acid;selane
SMILESO=CO.O=CO.[SeH2]
InChIInChI=1S/2CH2O2.H2Se/c2*2-1-3;/h2*1H,(H,2,3);1H2
InChIKeyCNRSFABRUUZKQD-UHFFFAOYSA-N
MW173.03 g/mol
LogP-1.51
Rot. Bonds

About formic acid;selane

formic acid;selane (PubChem CID 172697692) has the molecular formula C2H6O4Se and a molecular weight of 173.03 g/mol. Its IUPAC name is formic acid;selane.

Molecular Properties

Compound Nameformic acid;selane
PubChem CID172697692
Molecular FormulaC2H6O4Se
Molecular Weight173.03 g/mol
Exact Mass173.94
IUPAC Nameformic acid;selane
SMILESO=CO.O=CO.[SeH2]
InChIInChI=1S/2CH2O2.H2Se/c2*2-1-3;/h2*1H,(H,2,3);1H2
InChIKeyCNRSFABRUUZKQD-UHFFFAOYSA-N
XLogP-1.51
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.03
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;selane?
The IUPAC name of formic acid;selane (CID 172697692) is formic acid;selane.
What is the SMILES notation for formic acid;selane?
The canonical SMILES for formic acid;selane is O=CO.O=CO.[SeH2].
What is the InChIKey of formic acid;selane?
The InChIKey is CNRSFABRUUZKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O2.H2Se/c2*2-1-3;/h2*1H,(H,2,3);1H2.
What are the key properties of formic acid;selane?
formic acid;selane has a molecular weight of 173.03 g/mol, XLogP of -1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;selane is sourced from PubChem (CID 172697692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).