Basic information
- CAS
51146-07-7- Standard SMILES
COC(=O)c1cc(C)c(C)[nH]c1=O- InChIKey
XBSQZZZYHYOHHW-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- Methyl 5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylate
- IUPAC
- methyl 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
Names & synonyms
methyl 5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylate51146-07-7DTXSID501187317AKOS003604089SB55442methyl5,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylateMethyl 1,2-dihydro-5,6-dimethyl-2-oxo-3-pyridinecarboxylate
Database identifiers
- CAS
51146-07-7- PubChem CID
- 3980334
- DTXSID
DTXSID501187317
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…