Basic information
- Standard SMILES
COC(=O)C(Cc1ccccc1)N=C=O- InChIKey
JOTMMIYKEOOTNZ-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- Methyl 2-isocyanato-3-phenylpropanoate
- IUPAC
- methyl 2-isocyanato-3-phenylpropanoate
Names & synonyms
methyl 2-isocyanato-3-phenylpropanoate2-isocyanato-3-phenyl-propionic acid methyl esterMethyl 2-isocyanato-3-phenyl-propanoateMethyl (2S)-2-isocyanato-3-phenyl-propanoate56753-76-5SCHEMBL820965JOTMMIYKEOOTNZ-UHFFFAOYSA-Nmethyl N-(oxomethylene)phenylalaninateAKOS005171741DB-0693271-Isocyanato-1-methoxycarbonyl-2-phenylethane2-isocyanato-3-phenylpropionic acid methyl ester
Show more names
EN300-1458569
Database identifiers
- PubChem CID
- 2769481
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 253
Related reactions
14 records
Compound notes
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