hydrogen peroxide

H2O2 — CID 784

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IUPAChydrogen peroxide
SMILESOO
InChIInChI=1S/H2O2/c1-2/h1-2H
InChIKeyMHAJPDPJQMAIIY-UHFFFAOYSA-N
MW34.01 g/mol
LogP0.02
Rot. Bonds

About hydrogen peroxide

hydrogen peroxide (PubChem CID 784) has the molecular formula H2O2 and a molecular weight of 34.01 g/mol. Its IUPAC name is hydrogen peroxide.

Molecular Properties

Compound Namehydrogen peroxide
PubChem CID784
Molecular FormulaH2O2
Molecular Weight34.01 g/mol
Exact Mass34.01
IUPAC Namehydrogen peroxide
SMILESOO
InChIInChI=1S/H2O2/c1-2/h1-2H
InChIKeyMHAJPDPJQMAIIY-UHFFFAOYSA-N
XLogP0.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50034.01
LogP ≤ 50.02
H-Bond Donors ≤ 52
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

Hydrogen peroxide (30%)
CID 22326046
Perhydroxyl radical
CID 18500
Hydroperoxy
CID 520535
Trioxidane
CID 166717
Dioxidanylium
CID 5460577
Dioxidaniumyl
CID 5460468
Superoxide, hydrate
CID 186683
Oxidooxyoxidanium
CID 58604412
Protonated ozone
CID 6030661
Trioxidanyl
CID 6857668
Trioxidan-1-ide
CID 22955401
CID 126956702
CID 126956702

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide?
The IUPAC name of hydrogen peroxide (CID 784) is hydrogen peroxide.
What is the SMILES notation for hydrogen peroxide?
The canonical SMILES for hydrogen peroxide is OO.
What is the InChIKey of hydrogen peroxide?
The InChIKey is MHAJPDPJQMAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O2/c1-2/h1-2H.
What are the key properties of hydrogen peroxide?
hydrogen peroxide has a molecular weight of 34.01 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide is sourced from PubChem (CID 784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).