Basic information
- Standard SMILES
CC(=CCCN=C=O)C(=O)[O-]- InChIKey
GSTMPWLUBPKJIA-UHFFFAOYSA-M- Molecular formula
- C7H8NO3-
- Average molar mass
- 154.14 g/mol
- Monoisotopic mass
- 154.05041812
Names & identifiers
- Preferred name
- Isocyanatoethyl-methylacrylate
- IUPAC
- 5-isocyanato-2-methylpent-2-enoate
Names & synonyms
isocyanatoethyl-methylacrylateGSTMPWLUBPKJIA-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 76540206
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 208
Related reactions
1 records
Compound notes
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