Basic information
- CAS
1148130-29-3- Standard SMILES
COC(=O)CC1CC(=O)C1(Cl)Cl- InChIKey
BOOOCYNGTWGBOS-UHFFFAOYSA-N- Molecular formula
- C7H8Cl2O3
- Average molar mass
- 211.04 g/mol
- Monoisotopic mass
- 209.98504948
Names & identifiers
- Preferred name
- Methyl 2-(2,2-dichloro-3-oxocyclobutyl)acetate
- IUPAC
- methyl 2-(2,2-dichloro-3-oxocyclobutyl)acetate
Names & synonyms
1148130-29-3Cyclobutaneacetic acid, 2,2-dichloro-3-oxo-, methyl estermethyl 2-(2,2-dichloro-3-oxocyclobutyl)acetateSCHEMBL760126BOOOCYNGTWGBOS-UHFFFAOYSA-NDTXSID101194948DA-33263Methyl (2,2-dichloro-3-oxocyclobutyl)acetate(2,2-dichloro-3-oxo-cyclobutyl)-acetic acid methyl ester
Database identifiers
- CAS
1148130-29-3- PubChem CID
- 57686758
- DTXSID
DTXSID101194948
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 225
Related reactions
10 records
Compound notes
Loading…