Basic information
- Standard SMILES
O=C(O)CCCCCCC1=CC(Br)CC1=O- InChIKey
VNJSCIBNGWQOSZ-UHFFFAOYSA-N- Molecular formula
- C12H17BrO3
- Average molar mass
- 289.16 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-(6-carboxyhexyl)cyclopent-2-en-1-one
- IUPAC
- 7-(3-bromo-5-oxocyclopenten-1-yl)heptanoic acid
Names & synonyms
SCHEMBL10689001VNJSCIBNGWQOSZ-UHFFFAOYSA-N4-bromo-2(6-carboxyhexyl)cyclopent-2-en-1-one4-bromo-2-(6-carboxyhexyl)cyclopent-2-en-1-one
Database identifiers
- PubChem CID
- 13046277
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 297
Related reactions
50 records
Compound notes
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