(1-benzoyl-5-oxo-2H-pyrrol-3-yl) acetate
Basic information
- CAS
68661-21-2- Standard SMILES
CC(=O)OC1=CC(=O)N(C(=O)c2ccccc2)C1- InChIKey
OAGIBIOEBVACED-UHFFFAOYSA-N- Molecular formula
- C13H11NO4
- Average molar mass
- 245.23 g/mol
- Monoisotopic mass
- 245.06880783
Names & identifiers
- Preferred name
- (1-benzoyl-5-oxo-2H-pyrrol-3-yl) acetate
- IUPAC
- (1-benzoyl-5-oxo-2H-pyrrol-3-yl) acetate
Names & synonyms
68661-21-2(1-benzoyl-5-oxo-2H-pyrrol-3-yl) acetateNSC317331DTXSID10317530NSC-3173311-Benzoyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl acetate
Database identifiers
- CAS
68661-21-2- PubChem CID
- 330256
- DTXSID
DTXSID10317530
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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