Basic information
- CAS
1124-09-0- Standard SMILES
Cc1cc(O)c(O)cc1O- InChIKey
QKGQHTCUNGPCIA-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Overview
2,4,5-Trihydroxytoluene is a benzenetriol.
Names & identifiers
- Preferred name
- 2,4,5-Trihydroxytoluene
- IUPAC
- 5-methylbenzene-1,2,4-triol
- English name
- toluene-2,4,5-triol
- Molecular formula
- C7H8O3
- Molecular weight
- 140.13662
Names & synonyms
2,4,5-Trihydroxytoluene1124-09-0Toluene-2,4,5-triolFE879NYQ80DTXSID70150026RefChem:82035DTXCID5072517214-390-75-methylbenzene-1,2,4-triol1,2,4-Benzenetriol,5-methyl-EINECS 214-390-7UNII-FE879NYQ80
Show more names
5-Methyl-1,2,4-benzenetriol
SCHEMBL1259029SCHEMBL7499016SCHEMBL29600339CHEBI:81668QKGQHTCUNGPCIA-UHFFFAOYSA-N1,2,4-Benzenetriol, 5-methyl-1,2,4-trihydroxy-5-methylbenzene1-methyl-2,4,5-trihydroxybenzene
Database identifiers
- CAS
1124-09-0- PubChem CID
- 70758
- DTXSID
DTXSID70150026- ChEBI
CHEBI:81668- UNII
- FE879NYQ80
- EC Number
- 214-390-7
- Nikkaji
- J116.755C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- FDA UNII
- 879 NYQ80 · FE879NYQ80
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 2,4,5-Trihydroxytoluene is a benzenetriol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…