2-Bromo-5,5-dimethyl-3-oxocyclohexen-1-olate
Basic information
- CAS
37722-34-2- Standard SMILES
CC1(C)CC(=O)C(Br)=C([O-])C1- InChIKey
CIDBKKBIZKPHRZ-UHFFFAOYSA-M- Molecular formula
- C8H10BrO2-
- Average molar mass
- 218.07 g/mol
- Monoisotopic mass
- 216.98642
Names & identifiers
- Preferred name
- 2-Bromo-5,5-dimethyl-3-oxocyclohexen-1-olate
- IUPAC
- 2-bromo-5,5-dimethyl-3-oxocyclohexen-1-olate
Names & synonyms
2-bromo-5,5-dimethyl-3-oxocyclohexen-1-olateDTXSID7039816337722-34-2RefChem:257271DTXCID003490222-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-olate
Database identifiers
- CAS
37722-34-2- PubChem CID
- 3947570
- DTXSID
DTXSID70398163
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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