Basic information
- CAS
79359-51-6- Standard SMILES
O=c1oc2c(c3c1CCCC3)c(=O)[nH]c1ccccc12- InChIKey
VCDVKFWWNIBHAO-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 8,9,10,12-tetrahydro-7H-isochromeno[4,3-c]quinoline-6,11-dione
- IUPAC
- 8,9,10,12-tetrahydro-7H-isochromeno[4,3-c]quinoline-6,11-dione
Names & synonyms
NSC35368779359-51-6DTXSID90320007NSC-3536877,9,10,12-Tetrahydro-6H-[2]benzopyrano[4,3-c]quinoline-6,11(8H)-dione
Database identifiers
- CAS
79359-51-6- PubChem CID
- 337062
- DTXSID
DTXSID90320007
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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