Basic information
- CAS
4945-42-0- Standard SMILES
O=C1OC(=O)c2nc3ccccc3cc21- InChIKey
NLVZUORLSQCGFQ-UHFFFAOYSA-N- Molecular formula
- C11H5NO3
- Average molar mass
- 199.16 g/mol
- Monoisotopic mass
- 199.02694302
Names & identifiers
- Preferred name
- Furo[3,4-b]quinoline-1,3-dione
- IUPAC
- furo[3,4-b]quinoline-1,3-dione
- English name
- furo[3,4-b]quinoline-1,3-dione
- Molecular formula
- C11H5NO3
- Molecular weight
- 199.16
Names & synonyms
furo[3,4-b]quinoline-1,3-dione4945-42-02,3-quinolinedicarboxylic anhydrideSCHEMBL310881DTXSID40401951NLVZUORLSQCGFQ-UHFFFAOYSA-NAKOS0002950372,3-quinolinedicarboxylic acid anhydride
Database identifiers
- CAS
4945-42-0- PubChem CID
- 4325463
- DTXSID
DTXSID40401951
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 225 · 225-228 °C
- Boiling point
- 421.5 · 421.5±18.0 °C(Predicted)
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- pka
- -2.57 · -2.57±0.20(Predicted)
Chemistry & industry
Suppliers2 total
青州达丰进出口有限公司16773308882 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
30 records
Compound notes
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