3-Azetidinyl 2-phenylacetate
Basic information
- CAS
1220037-63-7- Standard SMILES
O=C(Cc1ccccc1)OC1CNC1- InChIKey
WMXQZZAXUAHASG-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 3-Azetidinyl 2-phenylacetate
- IUPAC
- azetidin-3-yl 2-phenylacetate
- English name
- azetidin-3-yl 2-phenylacetate
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
azetidin-3-yl 2-phenylacetate1220037-63-73-AZETIDINYL 2-PHENYLACETATEBenzeneacetic acid, 3-azetidinyl ester3-Azetidinyl benzeneacetateAzetidin-3-yl phenylacetateDTXSID801309893VYB03763AKOS006333857DA-14207
Database identifiers
- CAS
1220037-63-7- PubChem CID
- 53409702
- DTXSID
DTXSID801309893
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 294.3 · 294.3±33.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 8.7 · 8.70±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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