4-[4-(4-Chlorobenzylidene)-2,3-dioxopyrrolidin-1-yl]butanoic acid
Basic information
- CAS
76628-88-1- Standard SMILES
O=C(O)CCCN1C/C(=C\c2ccc(Cl)cc2)C(=O)C1=O- InChIKey
IHMJGJHSVALKTR-DHZHZOJOSA-N- Molecular formula
- C15H14ClNO4
- Average molar mass
- 307.73 g/mol
- Monoisotopic mass
- 307.0611356
Names & identifiers
- Preferred name
- 4-[4-(4-Chlorobenzylidene)-2,3-dioxopyrrolidin-1-yl]butanoic acid
- IUPAC
- 4-[(4E)-4-[(4-chlorophenyl)methylidene]-2,3-dioxopyrrolidin-1-yl]butanoic acid
Names & synonyms
76628-88-14-[4-(4-chlorobenzylidene)-2,3-dioxopyrrolidin-1-yl]butanoic acidNSC140045NSC-140045
Database identifiers
- CAS
76628-88-1- PubChem CID
- 6289640
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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