Basic information
- CAS
528-32-5- Standard SMILES
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1- InChIKey
QVNDSQQNODQYJM-YHUYYLMFSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
Names & identifiers
- Preferred name
- (1S,2R,3S,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylic acid
- IUPAC
- (1S,2R,3S,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylic acid
- English name
- ζ-Truxinic acid
- Molecular formula
- C18H16O4
- Molecular weight
- 296.32
Names & synonyms
1,2-Cyclobutanedicarboxylic acid, 3,4-diphenyl-, (1R,2S,3S,4S)-rel-
Database identifiers
- CAS
528-32-5- Nikkaji
- J238.506F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Melting point
- 239 °C · 239 °C
- Boiling point
- 521.84 · 521.840±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.78 · 3.780±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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