Basic information
- CAS
483-36-3- Standard SMILES
O=C1c2ccoc2C(=O)c2oc(=O)ccc21- InChIKey
HKQPXEAYQPNPHV-UHFFFAOYSA-N- Molecular formula
- C11H4O5
- Average molar mass
- 216.15 g/mol
- Monoisotopic mass
- 216.00587322
Names & identifiers
- Preferred name
- 4H-Furo(3,2-g)(1)benzopyran-4,7,9-trione
- IUPAC
- furo[3,2-g]chromene-4,7,9-trione
- English name
- 5,8-Dioxopsoralen
- Molecular formula
- C11H4O5
- Molecular weight
- 216.15
Names & synonyms
4H-Furo(3,2-g)(1)benzopyran-4,7,9-trioneBergaptenquinonePsoralen quinone4H-Furo[3,2-g][1]benzopyran-4,7,9-trioneDTXSID90197478NSC 4012682-Propenoic acid, 3-(4,7-dihydro-6-hydroxy-4,7-dioxo-5-benzofuranyl)-, .delta.-lactoneRefChem:297525DTXCID001199692-Propenoic acid, 3-(4,7-dihydro-6-hydroxy-4,7-dioxo-5-benzofuranyl)-, delta-lactoneHKQPXEAYQPNPHV-UHFFFAOYSA-N483-36-3
Show more names
5,8-Dioxo Psoralenfuro[3,2-g]chromene-4,7,9-trioneNSC4012684H-Furo[3,2-g]chromene-4,7,9-trione5,8-dioxopsoralen4H-Furo[3,2-g][1]benzopyran-4,7,9-trione; 4,7-Dihydro-6-hydroxy-4,7-dioxo-5-benzofuranacrylic Acid delta-Lactone; Bergaptenquinone; NSC 401268; Psoralen Quinone;starbld00025174H-Furo[3,7,9-trione
Database identifiers
- CAS
483-36-3- PubChem CID
- 68083
- DTXSID
DTXSID90197478- ChEMBL
CHEMBL1972913- Nikkaji
- J105.354J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Melting point
- 251 · 251-253 °C (decomp)
- Boiling point
- 441.7 · 441.7±45.0 °C(Predicted)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Orange to Light Orange
Chemistry & industry
Applications
UsesA metabolite of 8-Methoxypsoralen.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers6 total
南宁赛菲尔生物科技有限公司18877121284;15078879878 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…