Basic information
- CAS
96152-42-0- Standard SMILES
OO.Oc1ccccc1- InChIKey
KQUXHNRTCORKIG-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- Phenol, reaction products with hydrogen peroxide, distn. residues
- IUPAC
- hydrogen peroxide;phenol
Names & synonyms
EINECS 306-113-4RefChem:172864306-113-4SCHEMBL1997986SCHEMBL11721197
Database identifiers
- CAS
96152-42-0- PubChem CID
- 175673
- EC Number
- 306-113-4
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 46.1
Experimental & physicochemical properties
UVCBUVCB -> EPA TSCA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, reaction products with hydrogen peroxide, distn. residues: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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