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Molecule
ID:136270
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
H₂O₂
Molecular Mass
38.014202
Exact Mass
38.01397206
Charge
0
InChI
InChI=1S/H2O2/c1-2/h1-2H/i1+2,2+2
InChIKey
MHAJPDPJQMAIIY-XPULMUKRSA-N
Canonic Smiles
[18OH][18OH]
Isomeric Smiles
[18OH][18OH]
Calculated Properties
JChem
Acid pKa
11.520607
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.44720283
LogD (pH = 7.4)
-0.44723517
Log P
-0.4472024
Molar Refractivity
5.1292
Polarizability
2.1743076
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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IUPAC name
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Synonyms
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IUPAC Traditional name
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MDL Number
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PubChem SID
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PubChem CID
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Product Information
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Physical Property
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Safety Information
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From Data Sources
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
609978
Academic Data
PubChem
56846506
Names and Identifiers
IUPAC name
(
1
8
O
2
)peroxol
Synonyms
Hydrogen peroxide-18O2 solution
过氧化氢-18O2 溶液
IUPAC Traditional name
(
1
8
O
2
)peroxol
Registration numbers
MDL Number
MFCD08702876
PubChem SID
162230541
PubChem CID
56846506
Molecule Details
Sigma Aldrich
609978
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Product Information
Isotopic Purity
90 atom % 18O
Source
Linear Formula
H218O2
Source
Concentration
2-3% in H2O
Source
Mol. Weight
mol wt 37.62 by atom % calculation
Source
Physical Property
Mass Shift
M+4
Source
Safety Information
-20°C
Source
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Signal Word
Warning
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
36
Source
German water hazard class
1
Source
GHS Hazard statements
H319
Source
MSDS Link
Download link
Source
Safety Statements
26
Source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
GHS Precautionary statements
P305+P351+P338
Source
Storage Temperature
GHS Pictograms