hydron;molecular hydrogen;oxido formate;peroxyformic acid

C2H6O6 — CID 169425017

IUPAChydron;molecular hydrogen;oxido formate;peroxyformic acid
SMILESO=COO.O=CO[O-].[H+].[H][H]
InChIInChI=1S/2CH2O3.H2/c2*2-1-4-3;/h2*1,3H;1H
InChIKeyFDXLUWWSQUXGAJ-UHFFFAOYSA-N
MW126.06 g/mol
LogP-1.57
Rot. Bonds2

About hydron;molecular hydrogen;oxido formate;peroxyformic acid

hydron;molecular hydrogen;oxido formate;peroxyformic acid (PubChem CID 169425017) has the molecular formula C2H6O6 and a molecular weight of 126.06 g/mol. Its IUPAC name is hydron;molecular hydrogen;oxido formate;peroxyformic acid.

Molecular Properties

Compound Namehydron;molecular hydrogen;oxido formate;peroxyformic acid
PubChem CID169425017
Molecular FormulaC2H6O6
Molecular Weight126.06 g/mol
Exact Mass126.02
IUPAC Namehydron;molecular hydrogen;oxido formate;peroxyformic acid
SMILESO=COO.O=CO[O-].[H+].[H][H]
InChIInChI=1S/2CH2O3.H2/c2*2-1-4-3;/h2*1,3H;1H
InChIKeyFDXLUWWSQUXGAJ-UHFFFAOYSA-N
XLogP-1.57
TPSA95.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.06
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

hydron;methane;molecular hydrogen;oxido formate;peroxyformic acid
CID 159913262
bis(carbon dioxide);hydron;molecular hydrogen;oxido formate;peroxyformic acid;hydrate
CID 159582809
methane;molecular hydrogen;peroxyformic acid
CID 159099454
potassium;tris(carbon dioxide);formic acid;hydride;hydron;molecular hydrogen;oxido formate;peroxyformic acid;potassiopotassium;carbonate;hydroxide;hydrate
CID 158010880
azanium;methane;oxido formate;trihydrate
CID 159969710
cyclopropane;peroxyformic acid
CID 87410844
CID 162499376
CID 162499376
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614
nonan-1-amine;peroxyformic acid
CID 172825043
selanyl formate
CID 173007921
hydron;methyl formate
CID 173190969
CID 140707458
CID 140707458

Frequently Asked Questions

What is the IUPAC name of hydron;molecular hydrogen;oxido formate;peroxyformic acid?
The IUPAC name of hydron;molecular hydrogen;oxido formate;peroxyformic acid (CID 169425017) is hydron;molecular hydrogen;oxido formate;peroxyformic acid.
What is the SMILES notation for hydron;molecular hydrogen;oxido formate;peroxyformic acid?
The canonical SMILES for hydron;molecular hydrogen;oxido formate;peroxyformic acid is O=COO.O=CO[O-].[H+].[H][H].
What is the InChIKey of hydron;molecular hydrogen;oxido formate;peroxyformic acid?
The InChIKey is FDXLUWWSQUXGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2O3.H2/c2*2-1-4-3;/h2*1,3H;1H.
What are the key properties of hydron;molecular hydrogen;oxido formate;peroxyformic acid?
hydron;molecular hydrogen;oxido formate;peroxyformic acid has a molecular weight of 126.06 g/mol, XLogP of -1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;molecular hydrogen;oxido formate;peroxyformic acid is sourced from PubChem (CID 169425017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).