8-Azapsoralen
Basic information
- CAS
140366-15-0- Standard SMILES
O=c1ccc2cc3ccoc3nc2o1- InChIKey
GYEDUQJCKFXZAI-UHFFFAOYSA-N- Molecular formula
- C10H5NO3
- Average molar mass
- 187.15 g/mol
- Monoisotopic mass
- 187.02694302
Overview
structure given in first source
Names & identifiers
- Preferred name
- 8-Azapsoralen
- IUPAC
- 4,13-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8,10-pentaen-12-one
- English name
- 8-azapsoralen
- Molecular formula
- C10H5NO3
- Molecular weight
- 187.15
Names & synonyms
8-Azapsoralen140366-15-0DTXSID70161319RefChem:106919DTXCID20838107h-furo[2,3-b]pyrano[3,2-e]pyridin-7-oneSCHEMBL18073977Azapsoralen
Database identifiers
- CAS
140366-15-0- PubChem CID
- 192303
- DTXSID
DTXSID70161319- Nikkaji
- J277.889K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 381.95 · 381.950±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.193 · 2.193±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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