Completing data — refresh the page later to see the latest
Basic information
- CAS
157643-56-6- Standard SMILES
Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)O[C@@H]2O- InChIKey
MBTAFMZUDOUGPS-CGKQSRJASA-N- Molecular formula
- C13H16O6
- Average molar mass
- 268.265 g/mol
- Monoisotopic mass
- 268.09468823
Names & identifiers
- Preferred name
- Citrinin hydrate
- IUPAC
- (1S,3R,4S)-1,6,8-Trihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
- English name
- citrinin hydrate
- Molecular formula
- C13H16O6
- Molecular weight
- 268.26
Names & synonyms
citrinin hydrate1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-1,6,8-trihydroxy-3,4,5-trimethyl-, (1R,3S,4R)-rel-
Database identifiers
- CAS
157643-56-6- PubChem CID
- 190886
- DTXSID
DTXSID80166299- Nikkaji
- J595.876H
Properties
Physicochemical properties
- Boiling point
- 408.554 · 408.554±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.412 · 1.412±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.345 · 1.345±0.70(predicted)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…