Benzyl cyclopropanecarboxylate
Basic information
- CAS
20121-75-9- Standard SMILES
O=C(OCc1ccccc1)C1CC1- InChIKey
LEIUFQFSNLHXSJ-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- Benzyl cyclopropanecarboxylate
- IUPAC
- benzyl cyclopropanecarboxylate
- English name
- benzyl cyclopropanecarboxylate
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
Benzyl cyclopropanecarboxylate20121-75-9Cyclopropanecarboxylic acid, phenylmethyl esterPQ6WO2ZMH9UNII-PQ6WO2ZMH9NSC 179442NSC-179442Cyclopropanecarboxylic acid, benzyl esterDTXSID00173945RefChem:199783DTXCID5096436LEIUFQFSNLHXSJ-UHFFFAOYSA-N
Show more names
Phenylmethyl cyclopropanecarboxylatecyclopropanecarboxylic acid benzyl ester
MFCD29913349SCHEMBL280126Benzyl cyclopropanecarboxylate #SCHEMBL19212257SCHEMBL19212286NSC179442D84412
Database identifiers
- CAS
20121-75-9- PubChem CID
- 98917
- DTXSID
DTXSID00173945- UNII
- PQ6WO2ZMH9
- Nikkaji
- J1.624.020F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 253.4 · 253.4±9.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- FDA UNII
- 6 WO2ZMH9 · PQ6WO2ZMH9
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Related reactions
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Compound notes
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