2-Cyanopropan-2-yl acetate
Basic information
- CAS
56756-91-3- Standard SMILES
CC(=O)OC(C)(C)C#N- InChIKey
HKVILHAAOOLAEZ-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Overview
See also: 1-Cyano-1-methylethyl acetate (annotation moved to).
Names & identifiers
- Preferred name
- 2-Cyanopropan-2-yl acetate
- IUPAC
- 2-cyanopropan-2-yl acetate
Names & synonyms
56756-91-32-cyanopropan-2-yl acetateNSC71939NCIOpen2_000585SCHEMBL585284SCHEMBL10011968DTXSID00290944NSC-71939AKOS024429301
Database identifiers
- CAS
56756-91-3- PubChem CID
- 251503
- DTXSID
DTXSID00290944- Nikkaji
- J2.196.741F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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