Basic information
- CAS
105532-15-8- Standard SMILES
O=C(O)CN1C(=O)c2ccc(-c3ccc4cccc(O)c4n3)cc2C1=O- InChIKey
CMTDYAPABSJEDE-UHFFFAOYSA-N- Molecular formula
- C19H12N2O5
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.07462149
Names & identifiers
- Preferred name
- 2H-Isoindole-2-acetic acid, 1,3-dihydro-5-(8-hydroxy-2-quinolinyl)-1,3-dioxo-
- IUPAC
- 2-[5-(8-hydroxyquinolin-2-yl)-1,3-dioxoisoindol-2-yl]acetic acid
Names & synonyms
105532-15-82H-Isoindole-2-acetic acid, 1,3-dihydro-5-(8-hydroxy-2-quinolinyl)-1,3-dioxo-IPO 4743DTXSID50147191[5-(8-hydroxyquinolin-2-yl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]acetic acid
Database identifiers
- CAS
105532-15-8- PubChem CID
- 149692
- DTXSID
DTXSID50147191
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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