2-oxo-2-(trioxidanyl)ethaneperoxoic acid

C2H2O7 — CID 172638693

IUPAC2-oxo-2-(trioxidanyl)ethaneperoxoic acid
SMILESO=C(OO)C(=O)OOO
InChIInChI=1S/C2H2O7/c3-1(7-5)2(4)8-9-6/h5-6H
InChIKeySXLZFNPUWSXRAY-UHFFFAOYSA-N
MW138.03 g/mol
LogP-1.05
Rot. Bonds1

About 2-oxo-2-(trioxidanyl)ethaneperoxoic acid

2-oxo-2-(trioxidanyl)ethaneperoxoic acid (PubChem CID 172638693) has the molecular formula C2H2O7 and a molecular weight of 138.03 g/mol. Its IUPAC name is 2-oxo-2-(trioxidanyl)ethaneperoxoic acid.

Molecular Properties

Compound Name2-oxo-2-(trioxidanyl)ethaneperoxoic acid
PubChem CID172638693
Molecular FormulaC2H2O7
Molecular Weight138.03 g/mol
Exact Mass137.98
IUPAC Name2-oxo-2-(trioxidanyl)ethaneperoxoic acid
SMILESO=C(OO)C(=O)OOO
InChIInChI=1S/C2H2O7/c3-1(7-5)2(4)8-9-6/h5-6H
InChIKeySXLZFNPUWSXRAY-UHFFFAOYSA-N
XLogP-1.05
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.03
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-oxo-2-(trioxidanyl)ethaneperoxoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydroxy ethaneperoxoate;titanium
CID 88636548
carbonoperoxoyloxy hydroxy carbonate
CID 19088294
(2-hydroperoxy-2-oxoacetyl)oxymethyl-trimethylazanium
CID 141434468
CID 87914499
CID 87914499
hydroxy 2,2,2-tribromoethaneperoxoate
CID 91417804
2,3-ditert-butylbut-2-enediperoxoic acid
CID 54183132
hydroxy propaneperoxoate
CID 19088296
2-(hydroxymethyl)prop-2-eneperoxoic acid
CID 174828183
3-hydroxy-2-methylidenepentaneperoxoic acid
CID 175223388
1-O-tert-butyl 4-O-hydroxy but-2-enediperoxoate
CID 123621614
hydroxy carbonobromidate
CID 88553867
carbonoperoxoic acid;iron
CID 87244357

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(trioxidanyl)ethaneperoxoic acid?
The IUPAC name of 2-oxo-2-(trioxidanyl)ethaneperoxoic acid (CID 172638693) is 2-oxo-2-(trioxidanyl)ethaneperoxoic acid.
What is the SMILES notation for 2-oxo-2-(trioxidanyl)ethaneperoxoic acid?
The canonical SMILES for 2-oxo-2-(trioxidanyl)ethaneperoxoic acid is O=C(OO)C(=O)OOO.
What is the InChIKey of 2-oxo-2-(trioxidanyl)ethaneperoxoic acid?
The InChIKey is SXLZFNPUWSXRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O7/c3-1(7-5)2(4)8-9-6/h5-6H.
What are the key properties of 2-oxo-2-(trioxidanyl)ethaneperoxoic acid?
2-oxo-2-(trioxidanyl)ethaneperoxoic acid has a molecular weight of 138.03 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(trioxidanyl)ethaneperoxoic acid is sourced from PubChem (CID 172638693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).