Basic information
- CAS
62351-97-7- Standard SMILES
CCOC(=N)CC(=O)OCc1ccccc1- InChIKey
NRPZHAIBVGXLJA-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- Benzyl 3-ethoxy-3-iminopropanoate
- IUPAC
- benzyl 3-ethoxy-3-iminopropanoate
Names & synonyms
Benzyl 3-ethoxy-3-iminopropanoate62351-97-7DTXSID10739955
Database identifiers
- CAS
62351-97-7- PubChem CID
- 69177331
- DTXSID
DTXSID10739955- Nikkaji
- J2.450.652E
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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