3-Bromohexanedioic acid
Basic information
- CAS
27491-26-5- Standard SMILES
O=C(O)CCC(Br)CC(=O)O- InChIKey
SSEAMBYEAMGZFC-UHFFFAOYSA-N- Molecular formula
- C6H9BrO4
- Average molar mass
- 225.04 g/mol
- Monoisotopic mass
- 223.96842
Names & identifiers
- Preferred name
- 3-Bromohexanedioic acid
- IUPAC
- 3-bromohexanedioic acid
Names & synonyms
27491-26-53-bromohexanedioic acidNSC99329NCIOpen2_006713SCHEMBL7149918DTXSID10295021NSC-99329
Database identifiers
- CAS
27491-26-5- PubChem CID
- 264284
- DTXSID
DTXSID10295021
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
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Related reactions
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Compound notes
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