Basic information
- Standard SMILES
COC(=O)c1cc(=O)c2c(o1)-c1ccccc1OC2- InChIKey
NSPGVGPPYIGFIL-UHFFFAOYSA-N- Molecular formula
- C14H10O5
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.05282342
Names & identifiers
- Preferred name
- 4-Oxo-4H, 5H-[1]benzopyrano [4,3-b]pyran-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl 4-oxo-5H-pyrano[3,2-c]chromene-2-carboxylate
Names & synonyms
SCHEMBL11637164NSPGVGPPYIGFIL-UHFFFAOYSA-N4-Oxo-4H, 5H-[1]benzopyrano [4,3-b]pyran-2-carboxylic Acid Methyl Ester4-Oxo-4H, 5H-[1]benzopyrano[4,3-b]pyran-2-carboxylic Acid Methyl ester
Database identifiers
- PubChem CID
- 12677756
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 488
Related reactions
5 records
Compound notes
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