Basic information
- CAS
25347-44-8- Standard SMILES
O=C(O)CC(c1ccccc1)C(CC(=O)O)c1ccccc1- InChIKey
CDAXWFKYGWELRY-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 3,4-Diphenylhexanedioic acid
- IUPAC
- 3,4-diphenylhexanedioic acid
- English name
- 3,4-Diphenyladipic acid
- Molecular formula
- C18H18O4
- Molecular weight
- 298.33
Names & synonyms
3,4-Diphenylhexanedioic acid25347-44-8DTXSID30303253RefChem:271249DTXCID20254386NSC631505NSC157546SCHEMBL12473262NSC-157546NSC-6315053,4-Diphenyladipic acidHexanedioic acid, 3,4-diphenyl-
Database identifiers
- CAS
25347-44-8- PubChem CID
- 291963
- DTXSID
DTXSID30303253- Nikkaji
- J135.408F
Properties
Computed structural properties
- XLogP
- 2.7
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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