2,5-Diphenylhexanedioic acid
Basic information
- CAS
6622-43-1- Standard SMILES
O=C(O)C(CCC(C(=O)O)c1ccccc1)c1ccccc1- InChIKey
ZEUFEFSWMUFREP-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 2,5-Diphenylhexanedioic acid
- IUPAC
- 2,5-diphenylhexanedioic acid
Names & synonyms
2,5-diphenylhexanedioic acid6622-43-1MLS002667899NSC57717NCIOpen2_002246CHEMBL1715280SCHEMBL25401164SCHEMBL30371912DTXSID70288818HMS3089K09NSC-57717SMR001557656
Show more names
DS-003709
Database identifiers
- CAS
6622-43-1- PubChem CID
- 245609
- DTXSID
DTXSID70288818- ChEMBL
CHEMBL1715280
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
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Compound notes
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