Basic information
- CAS
25566-16-9- Standard SMILES
CC(=O)C(O)C(O)C(C)=O- InChIKey
RQDWELNLPMBYMA-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Overview
See also: threo-2,5-Hexodiulose, 1,6-dideoxy- (annotation moved to).
Names & identifiers
- Preferred name
- 3,4-Dihydroxy-2,5-hexanedione
- IUPAC
- 3,4-dihydroxyhexane-2,5-dione
- English name
- 3,4-dihydroxyhexane-2,5-dione
- Molecular formula
- C6H10O4
- Molecular weight
- 146.14
Names & synonyms
3,4-Dihydroxyhexane-2,5-dione25566-16-93,4-Dihydroxy-2,5-hexanedioneRefChem:1065766247-106-51,6-dideoxyhexo-2,5-diuloseDiacetyl-Glykol36871-96-22,5-Hexanedione, 3,4-dihydroxy-EINECS 247-106-5SCHEMBL58897DTXSID00948453
Show more names
NS00052139
Database identifiers
- CAS
25566-16-9- PubChem CID
- 78033
- DTXSID
DTXSID00948453- EC Number
- 247-106-5
- Nikkaji
- J287.279J
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 74 °C · 74 °C
- Boiling point
- 349.1 · 349.1±37.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 11.61 · 11.61±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
4 records
Compound notes
Loading…