Basic information
- CAS
118-76-3- Standard SMILES
O=c1c(O)c(O)c(=O)c(=O)c1=O- InChIKey
WCJLIWFWHPOTAC-UHFFFAOYSA-N- Molecular formula
- C6H2O6
- Average molar mass
- 170.08 g/mol
- Monoisotopic mass
- 169.98513778
Names & identifiers
- Preferred name
- Rhodizonic acid
- IUPAC
- 5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone
- English name
- RHODIZONIC ACID DIHYDRATE
- Molecular formula
- C6H2O6
- Molecular weight
- 170.08
Names & synonyms
Rhodizonic acid118-76-3NG86FBS267DTXSID70151997RefChem:883049DTXCID9074488204-276-55,6-Dihydroxycyclohex-5-ene-1,2,3,4-tetraone5,6-dihydroxycyclohex-5-ene-1,2,3,4-tetrone5-cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-NSC6241505,6-Dihydroxy-5-cyclohexene-1,2,3,4-tetrone
Show more names
rhodizonicacidDIHYDROXYDIQUINOYLRHIZOCARPIC ACID(RG)5,6-Dihydroxy-1,2,3,4-benzodiquinone1,2-Dihydroxy-3,4,5,6-tetraoxocyclohexene
Rhodizonsauredihydroxycyclohex-5-ene-1,2,3,4-tetroneEINECS 204-276-5UNII-NG86FBS267SCHEMBL916303AKOS006228674FR137763NS00041461
Database identifiers
- CAS
118-76-3- PubChem CID
- 67050
- DTXSID
DTXSID70151997- UNII
- NG86FBS267
- EC Number
- 204-276-5
- Nikkaji
- J5.305H
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
Physical DescriptionDihydrate: White to cream-colored solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 248 °C · 248 °C (dec.)(lit.)
- Boiling point
- 259.67 °C · 259.67°C (rough estimate)
- Density
- 1.7636 · 1.7636 (rough estimate)
- refractive index
- 1.754 · 1.7540 (estimate)
- storage temp.
- -20 °C · -20°C
- pka
- 2.62 · 2.62±0.50(Predicted)
- BRN
- 2047007 · 2047007
- FDA UNII
- 86 FBS267 · NG86FBS267
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
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
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See Potassium rhodizonate.
Safety data
- wgk
- 3
- safety_code
- 22-24/25
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Richest Group Ltd18017061086 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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