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Basic information
- CAS
51622-32-3- Standard SMILES
O=C(O)CC(Br)C(Br)CC(=O)O- InChIKey
XASXDQOMHCWJQV-UHFFFAOYSA-N- Molecular formula
- C6H8Br2O4
- Average molar mass
- 303.93 g/mol
- Monoisotopic mass
- 301.87893
Names & identifiers
- Preferred name
- Adipic acid, beta,gamma-dibromo-
- IUPAC
- 3,4-dibromohexanedioic acid
Names & synonyms
ADIPIC ACID, beta,gamma-DIBROMO-51622-32-3RefChem:1076190beta,gamma-Dibromoadipic acid3,4-dibromohexanedioic acidSCHEMBL28532347DTXSID30965936
Database identifiers
- CAS
51622-32-3- PubChem CID
- 40071
- DTXSID
DTXSID30965936- Nikkaji
- J73.416K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
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Compound notes
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