Basic information
- Standard SMILES
COC(=O)c1ncc(C(=O)O)c2c1OC(C)(C)OC2- InChIKey
PMYIEUBVAWDQRS-UHFFFAOYSA-N- Molecular formula
- C12H13NO6
- Average molar mass
- 267.23 g/mol
Names & identifiers
- Preferred name
- 8-(methoxycarbonyl)-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxylic acid
- IUPAC
- 8-methoxycarbonyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxylic acid
Names & synonyms
SCHEMBL1503145PMYIEUBVAWDQRS-UHFFFAOYSA-N8-(methoxycarbonyl)-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-5-carboxylic acid
Database identifiers
- PubChem CID
- 58360283
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
1 records
Compound notes
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