Pyrimidin-2-yl acetate
Basic information
- CAS
180308-30-9- Standard SMILES
CC(=O)Oc1ncccn1- InChIKey
IRFJWPIUSBTZNR-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
Names & identifiers
- Preferred name
- Pyrimidin-2-yl acetate
- IUPAC
- pyrimidin-2-yl acetate
- English name
- 2-Pyrimidinol, acetate (ester) (9CI)
- Molecular formula
- C6H6N2O2
- Molecular weight
- 138.12404
Names & synonyms
pyrimidin-2-yl acetate180308-30-92-Pyrimidinol, acetate (ester) (9CI)acetoxypyrimidinepyrimidin-2-ylacetateSCHEMBL1291212SCHEMBL12471099SCHEMBL12471969
Database identifiers
- CAS
180308-30-9- Nikkaji
- J1.344.695D
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…