methyl tritioformate

C2H4O2 — CID 59516363

IUPACmethyl tritioformate
SMILES[3H]C(=O)OC
InChIInChI=1S/C2H4O2/c1-4-2-3/h2H,1H3/i2T
InChIKeyTZIHFWKZFHZASV-FUPOQFPWSA-N
MW62.06 g/mol
LogP-0.21
Rot. Bonds

About methyl tritioformate

methyl tritioformate (PubChem CID 59516363) has the molecular formula C2H4O2 and a molecular weight of 62.06 g/mol. Its IUPAC name is methyl tritioformate.

Molecular Properties

Compound Namemethyl tritioformate
PubChem CID59516363
Molecular FormulaC2H4O2
Molecular Weight62.06 g/mol
Exact Mass62.03
IUPAC Namemethyl tritioformate
SMILES[3H]C(=O)OC
InChIInChI=1S/C2H4O2/c1-4-2-3/h2H,1H3/i2T
InChIKeyTZIHFWKZFHZASV-FUPOQFPWSA-N
XLogP-0.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.06
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
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 methyl tritioformate?
The IUPAC name of methyl tritioformate (CID 59516363) is methyl tritioformate.
What is the SMILES notation for methyl tritioformate?
The canonical SMILES for methyl tritioformate is [3H]C(=O)OC.
What is the InChIKey of methyl tritioformate?
The InChIKey is TZIHFWKZFHZASV-FUPOQFPWSA-N. The full InChI is InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3/i2T.
What are the key properties of methyl tritioformate?
methyl tritioformate has a molecular weight of 62.06 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tritioformate is sourced from PubChem (CID 59516363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).