Ethyl 2-(pyrimidin-2-yl)propanoate
Basic information
- CAS
191725-65-2- Standard SMILES
CCOC(=O)C(C)c1ncccn1- InChIKey
DXIQUQYLOVOVHV-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(pyrimidin-2-yl)propanoate
- IUPAC
- ethyl 2-pyrimidin-2-ylpropanoate
- English name
- 2-Pyrimidineacetic acid, -alpha--methyl-, ethyl ester (9CI)
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.20378
Names & synonyms
191725-65-2ethyl 2-pyrimidin-2-ylpropanoateethyl 2-(pyrimidin-2-yl)propanoate2-Pyrimidineacetic acid, -alpha--methyl-, ethyl ester (9CI)SCHEMBL8429965DXIQUQYLOVOVHV-UHFFFAOYSA-Nethyl2-(pyrimidin-2-yl)propanoateDA-087402-Pyrimidineacetic acid, α-methyl-, ethyl ester
Database identifiers
- CAS
191725-65-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 243.3 · 243.3±23.0 °C(Predicted)
- Density
- 1.109 · 1.109±0.06 g/cm3(Predicted)
- pka
- 1.03 · 1.03±0.33(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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