Methyl (1R,2R)-2-acetylcyclopropane-1-carboxylate
Basic information
- CAS
116949-59-8- Standard SMILES
COC(=O)[C@@H]1C[C@H]1C(C)=O- InChIKey
MSCQZOISCXMNDV-NTSWFWBYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
Names & identifiers
- Preferred name
- Methyl (1R,2R)-2-acetylcyclopropane-1-carboxylate
- IUPAC
- trans-methyl (1R,2R)-2-acetylcyclopropane-1-carboxylate
- English name
- Cyclopropanecarboxylic acid, 2-acetyl-, methyl ester, (1R-trans)- (9CI)
- Molecular formula
- C7H10O3
- Molecular weight
- 142.15
Names & synonyms
Methyl (1R,2R)-2-acetylcyclopropane-1-carboxylate116949-59-8Cyclopropanecarboxylic acid, 2-acetyl-, methyl ester, (1R-trans)- (9CI)
Database identifiers
- CAS
116949-59-8
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 190.4 · 190.4±33.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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