CID 140578418

HKO2 — CID 140578418

IUPAC—
SMILES[3H]O[O-].[K+]
InChIInChI=1S/K.H2O2/c;1-2/h;1-2H/q+1;/p-1/i/hT
InChIKeyJAXLCNCZJFJWAK-MNYXATJNSA-M
MW74.11 g/mol
LogP-4.18
Rot. Bonds

About CID 140578418

CID 140578418 (PubChem CID 140578418) has the molecular formula HKO2 and a molecular weight of 74.11 g/mol.

Molecular Properties

Compound NameCID 140578418
PubChem CID140578418
Molecular FormulaHKO2
Molecular Weight74.11 g/mol
Exact Mass73.97
IUPAC Name—
SMILES[3H]O[O-].[K+]
InChIInChI=1S/K.H2O2/c;1-2/h;1-2H/q+1;/p-1/i/hT
InChIKeyJAXLCNCZJFJWAK-MNYXATJNSA-M
XLogP-4.18
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.11
LogP ≤ 5-4.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15348000
cesium oxalate
CID 53436195
oxalate;silicon(4+)
CID 19840044
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CID 14213
oxalate;bis(ruthenium(3+))
CID 57371303
oxalate;platinum(2+)
CID 22066175

Frequently Asked Questions

What is the IUPAC name of CID 140578418?
The IUPAC name of CID 140578418 (CID 140578418) is not available.
What is the SMILES notation for CID 140578418?
The canonical SMILES for CID 140578418 is [3H]O[O-].[K+].
What is the InChIKey of CID 140578418?
The InChIKey is JAXLCNCZJFJWAK-MNYXATJNSA-M. The full InChI is InChI=1S/K.H2O2/c;1-2/h;1-2H/q+1;/p-1/i/hT.
What are the key properties of CID 140578418?
CID 140578418 has a molecular weight of 74.11 g/mol, XLogP of -4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140578418 is sourced from PubChem (CID 140578418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).