Basic information
- CAS
14056-10-1- Standard SMILES
CC(C)COC(=O)C=CC#N- InChIKey
OOGCHGUNVLXNNP-UHFFFAOYSA-N- Molecular formula
- C8H11NO2
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.07897859
Names & identifiers
- Preferred name
- Isobutyl 3-cyanoacrylate
- IUPAC
- 2-methylpropyl 3-cyanoprop-2-enoate
Names & synonyms
ISOBUTYL 3-CYANOACRYLATERRE0127XKN14056-10-1UNII-RRE0127XKN2-Methylpropyl 3-cyano-2-propenoate2-Propenoic acid, 3-cyano-, 2-methylpropyl esterSCHEMBL168359OOGCHGUNVLXNNP-UHFFFAOYSA-NQ27288257
Database identifiers
- CAS
14056-10-1- PubChem CID
- 26428
- UNII
- RRE0127XKN
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…