2-(4-BU-Phenyl)-1,3-dioxo-2,3-dihydro-1H-benzo(DE)isoquinoline-6-carboxylic acid
Basic information
- CAS
883790-55-4- Standard SMILES
CCCCc1ccc(N2C(=O)c3cccc4c(C(=O)O)ccc(c34)C2=O)cc1- InChIKey
XZJIHODVWVXFEH-UHFFFAOYSA-N- Molecular formula
- C23H19NO4
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.13140809
Names & identifiers
- Preferred name
- 2-(4-BU-Phenyl)-1,3-dioxo-2,3-dihydro-1H-benzo(DE)isoquinoline-6-carboxylic acid
- IUPAC
- 2-(4-butylphenyl)-1,3-dioxobenzo[de]isoquinoline-6-carboxylic acid
Names & synonyms
AKOS0244211182-(4-BU-PHENYL)-1,3-DIOXO-2,3-DIHYDRO-1H-BENZO(DE)ISOQUINOLINE-6-CARBOXYLIC ACID
Database identifiers
- CAS
883790-55-4- PubChem CID
- 4153465
- EC Number
- 152-467-6
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 624
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…