Basic information
- CAS
414909-25-4- Standard SMILES
COc1cc(OC)nc(CC(C)=O)n1- InChIKey
MRPUESHNMJXBDD-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
Names & identifiers
- Preferred name
- 1-(4,6-Dimethoxypyrimidin-2-yl)propan-2-one
- IUPAC
- 1-(4,6-dimethoxypyrimidin-2-yl)propan-2-one
Names & synonyms
1-(4,6-dimethoxypyrimidin-2-yl)propan-2-oneRefChem:424174414909-25-4682-585-8SCHEMBL1720666MRPUESHNMJXBDD-UHFFFAOYSA-N2-acetonyl-4,6-dimethoxypyrimidineAKOS0175158931-(4,6-dimethoxypyrimidine-2-yl)-2-propanone
Database identifiers
- CAS
414909-25-4- PubChem CID
- 11264052
- EC Number
- 682-585-8
- Nikkaji
- J1.835.404G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 186
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
36 records
Compound notes
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