3-(2-Hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Basic information
- CAS
1041856-78-3- Standard SMILES
O=C(O)C1NC(c2ccccc2O)C2C(=O)N(c3ccccc3)C(=O)C12- InChIKey
XSBFBEVMMWSNMH-UHFFFAOYSA-N- Molecular formula
- C19H16N2O5
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.10592162
Names & identifiers
- Preferred name
- 3-(2-Hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
- IUPAC
- 1-(2-hydroxyphenyl)-4,6-dioxo-5-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid
Names & synonyms
3-(2-hydroxyphenyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid1041856-78-3DTXSID501125727STK573521AKOS005498806Octahydro-3-(2-hydroxyphenyl)-4,6-dioxo-5-phenylpyrrolo[3,4-c]pyrrole-1-carboxylic acid
Database identifiers
- CAS
1041856-78-3- PubChem CID
- 4902963
- DTXSID
DTXSID501125727
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…