methyl 5-formyl-2,2-dimethyl-4H-[1,3]dioxino[4,5-c]pyridine-8-carboxylate

HCID 58360280

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

Related reactions

5 records

Compound notes

Loading…