Methyl 2-isocyanato-2-phenylacetate
Basic information
- CAS
143676-63-5- Standard SMILES
COC(=O)C(N=C=O)c1ccccc1- InChIKey
SHKLHQANVPYACZ-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- Methyl 2-isocyanato-2-phenylacetate
- IUPAC
- methyl 2-isocyanato-2-phenylacetate
Names & synonyms
methyl 2-isocyanato-2-phenylacetate143676-63-5Methyl isocyanato(phenyl)acetatemethyl2-isocyanato-2-phenylacetateSCHEMBL8853888SHKLHQANVPYACZ-UHFFFAOYSA-Nmethyl alpha-isocyanatophenylacetatemethyl 2-phenyl-2-isocyanatoethanoateAKOS012410970EN300-6344936
Database identifiers
- CAS
143676-63-5- PubChem CID
- 2769482
- EC Number
- 885-542-3
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
1 records
Compound notes
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