[1,3]Benzodioxolo[5,6-a]quinolizinium, 2,3-dicarboxy-6,7-dihydro-
Basic information
- CAS
66393-03-1- Standard SMILES
O=C(O)c1cc2[n+](cc1C(=O)O)CCc1cc3c(cc1-2)OCO3- InChIKey
DIQORYOABIKZLG-UHFFFAOYSA-O- Molecular formula
- C16H12NO6+
- Average molar mass
- 314.27 g/mol
- Monoisotopic mass
- 314.0664621
Names & identifiers
- Preferred name
- [1,3]Benzodioxolo[5,6-a]quinolizinium, 2,3-dicarboxy-6,7-dihydro-
- IUPAC
- 6,7-dihydro-[1,3]benzodioxolo[5,6-a]quinolizin-5-ium-2,3-dicarboxylic acid
Names & synonyms
DTXSID901167555[1,3]Benzodioxolo[5,6-a]quinolizinium, 2,3-dicarboxy-6,7-dihydro-66393-03-12,3-Dicarboxy-6,7-dihydro-10H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ium
Database identifiers
- CAS
66393-03-1- PubChem CID
- 3939583
- DTXSID
DTXSID901167555
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 511
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Compound notes
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