Basic information
- CAS
80946-00-5- Standard SMILES
CC1(C)COC(=O)C(C#N)=C1CBr- InChIKey
GXPCCPGQNNYDBU-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-carbonitrile
- IUPAC
- 4-(bromomethyl)-3,3-dimethyl-6-oxo-2H-pyran-5-carbonitrile
- English name
- 4-(bromomethyl)-5,5-dimethyl-2-oxo-6H-pyran-3-carbonitrile
- Molecular formula
- C9H10BrNO2
- Molecular weight
- 0
Names & synonyms
80946-00-5NSC360513DTXSID503205084-(Bromomethyl)-5,5-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-carbonitrileNSC-3605134-(bromomethyl)-5,5-dimethyl-2-oxo-6H-pyran-3-carbonitrile
Database identifiers
- CAS
80946-00-5- PubChem CID
- 338396
- DTXSID
DTXSID50320508
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 322
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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