Basic information
- CAS
823235-05-8- Standard SMILES
COC(OC)c1cc(C)c(C#N)c(=O)[nH]1- InChIKey
JSYLMTURVLYOLU-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- 6-(dimethoxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
- IUPAC
- 6-(dimethoxymethyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
- English name
- 3-Pyridinecarbonitrile,6-(dimethoxymethyl)-1,2-dihydro-4-methyl-2-oxo-(9CI)
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21388
Names & synonyms
3-Pyridinecarbonitrile,6-(dimethoxymethyl)-1,2-dihydro-4-methyl-2-oxo-(9CI)
Database identifiers
- CAS
823235-05-8- PubChem CID
- 45097090
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 383
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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