Basic information
- CAS
2852-84-8- Standard SMILES
O=C(O)CC(c1ccccc1)C(C(=O)O)c1ccccc1- InChIKey
MGMOTQPFSPLGOV-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- 2,3-Diphenylpentanedioic acid
- IUPAC
- 2,3-diphenylpentanedioic acid
- English name
- 2,3-Diphenylpentanedioic acid
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
2,3-diphenylpentanedioic acid2852-84-8DTXSID40279319RefChem:245135DTXCID30230474NSC122562,3-diphenylglutaric acidSCHEMBL4788580NSC-12256DS-003510Pentanedioic acid, 2,3-diphenyl-
Database identifiers
- CAS
2852-84-8- PubChem CID
- 224034
- DTXSID
DTXSID40279319
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 233 · 233-234 °C
- Boiling point
- 405.6 · 405.6±40.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- 3.89 · 3.89±0.10(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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