Basic information
- Standard SMILES
COC(=O)c1ncc(C=O)c2c1OC(C)(C)OC2- InChIKey
KUIQTRBKZUYKAU-UHFFFAOYSA-N- Molecular formula
- C12H13NO5
- Average molar mass
- 251.23 g/mol
Names & identifiers
- Preferred name
- methyl 5-formyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
- IUPAC
- methyl 5-formyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
Names & synonyms
SCHEMBL1503124KUIQTRBKZUYKAU-UHFFFAOYSA-N5-Formyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylic acid methyl estermethyl 5-formyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate
Database identifiers
- PubChem CID
- 58360280
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
5 records
Compound notes
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