Completing data — usually done within a minute
Basic information
- CAS
56703-83-4- Standard SMILES
CC(=O)CC(=O)c1ccc(C)nc1- InChIKey
LRRPGSMZYAPOCP-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 1-(6-Methylpyridin-3-yl)butane-1,3-dione
- IUPAC
- 1-(6-methyl-3-pyridinyl)butane-1,3-dione
Names & synonyms
1-(6-Methylpyridin-3-yl)butane-1,3-dione56703-83-46-methylnicotinoyl-acetone6-methyl-nicotinoyl-acetone(6-methyl-nicotinoyl)-acetoneSCHEMBL10812902DTXSID60603652LRRPGSMZYAPOCP-UHFFFAOYSA-NMFCD09996564AKOS0063030601-(6-methyl-3-pyridyl)butane-1,3-dione1-(6-Methylpyridin-3-yl)-butane-1,3-dione
Show more names
1-(6-Methyl-pyridin-3-yl)-butane-1,3-dioneA1-10220
Database identifiers
- CAS
56703-83-4- PubChem CID
- 20212814
- DTXSID
DTXSID60603652
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Related reactions
6 records
Compound notes
Loading…