Basic information
- CAS
61066-86-2- Standard SMILES
N#CC(OC(=O)Cc1ccccc1)c1ccccc1- InChIKey
SZTMJGKGDBKNBS-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- Cyano(phenyl)methyl phenylacetate
- IUPAC
- [cyano(phenyl)methyl] 2-phenylacetate
Names & synonyms
Cyano(phenyl)methyl phenylacetate61066-86-2DTXSID40597161RefChem:334872DTXCID60547921SCHEMBL11025357
Database identifiers
- CAS
61066-86-2- PubChem CID
- 18987828
- DTXSID
DTXSID40597161- Nikkaji
- J3.631.980A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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