Methyl 3-acetylcyclopentanecarboxylate
Basic information
- CAS
214531-77-8- Standard SMILES
COC(=O)C1CCC(C(C)=O)C1- InChIKey
WPNZZNWTLVFRAC-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
Names & identifiers
- Preferred name
- Methyl 3-acetylcyclopentanecarboxylate
- IUPAC
- methyl 3-acetylcyclopentane-1-carboxylate
- English name
- Cyclopentanecarboxylic acid, 3-acetyl-, methyl ester (9CI)
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
Methyl 3-acetylcyclopentanecarboxylate214531-77-8Methyl 3-acetylcyclopentane-1-carboxylateCyclopentanecarboxylic acid, 3-acetyl-, methyl ester (9CI)SCHEMBL13896029WPNZZNWTLVFRAC-UHFFFAOYSA-NMFCD24703402DB-1720383-Acetyl-cyclopentanecarboxylic acid methyl esterCyclopentanecarboxylic acid, 3-acetyl-, methyl ester
Database identifiers
- CAS
214531-77-8- Nikkaji
- J1.963.017J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 234.6 · 234.6±33.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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