3-Chloropentanedioic acid
Basic information
- CAS
27571-06-8- Standard SMILES
O=C(O)CC(Cl)CC(=O)O- InChIKey
QKFCRSKXBLOIQC-UHFFFAOYSA-N- Molecular formula
- C5H7ClO4
- Average molar mass
- 166.56 g/mol
- Monoisotopic mass
- 166.0032864
Names & identifiers
- Preferred name
- 3-Chloropentanedioic acid
- IUPAC
- 3-chloropentanedioic acid
Names & synonyms
27571-06-83-Chloropentanedioic acidPentanedioic acid, 3-chloro-3-Chloropentanedioic acid #SCHEMBL1262446DTXSID30341635QKFCRSKXBLOIQC-UHFFFAOYSA-N
Database identifiers
- CAS
27571-06-8- PubChem CID
- 574615
- DTXSID
DTXSID30341635
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
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Compound notes
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