Basic information
- Standard SMILES
COC(=O)CCCC(=O)CBr- InChIKey
UJAAJBIJFQPFBC-UHFFFAOYSA-N- Molecular formula
- C7H11BrO3
- Average molar mass
- 223.06 g/mol
Names & identifiers
- Preferred name
- Methyl 6-bromo-5-oxohexanoate
- IUPAC
- methyl 6-bromo-5-oxohexanoate
Names & synonyms
Methyl 6-bromo-5-oxohexanoate68192-98-3methyl 6-bromo-5oxohexanoateSCHEMBL1518193MFCD259661306-bromo-5-oxo-hexanoic acid methyl esterSY310945
Database identifiers
- PubChem CID
- 582216
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Related reactions
11 records
Compound notes
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