Basic information
- CAS
6637-46-3- Standard SMILES
CC(=O)Oc1ccc(N2C(=O)C=CC2=O)cc1- InChIKey
QTRJOLFWYFCHQD-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate
- IUPAC
- [4-(2,5-dioxopyrrol-1-yl)phenyl] acetate
- English name
- [4-(2,5-dioxopyrrol-1-yl)phenyl] acetate
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
6637-46-3[4-(2,5-dioxopyrrol-1-yl)phenyl] acetate4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate1h-pyrrole-2,5-dione, 1-[4-(acetyloxy)phenyl]-N-(4-acetoxyphenyl)maleimideNSC19634N-4-acetoxy phenyl maleimideN-(4-acetoxylphenyl)maleimideSCHEMBL5073167DTXSID70280993NSC52629NSC-19634
Show more names
NSC-52629STK0044154-(2,5-dioxoazolinyl)phenyl acetateAKOS000296056ST50195619Dihydropyrrol-2,5-dione, N-[4-acetoxyphenyl]-4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl acetate #
Database identifiers
- CAS
6637-46-3- PubChem CID
- 227684
- DTXSID
DTXSID70280993- Nikkaji
- J676.640D
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 391.4 · 391.4±25.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- pka
- -1.49 · -1.49±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
OTAVA-BB[email protected]
Related reactions
2 records
Compound notes
Loading…