Basic information
- CAS
7450-68-2- Standard SMILES
CC(=O)OCN1C(=O)C=CC1=O- InChIKey
YJMUOPDZZMNVMR-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Names & identifiers
- Preferred name
- N-(Acetoxymethyl)maleimide
- IUPAC
- (2,5-dioxopyrrol-1-yl)methyl acetate
- English name
- MIRA-3
- Molecular weight
- 0
Names & synonyms
N-(Acetoxymethyl)maleimide7450-68-2NSC-19629TQZ6TD9N6WMaleimide, N-(hydroxymethyl)-, acetate (ester)(2,5-dioxopyrrol-1-yl)methyl acetate(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl acetate1H-Pyrrole-2,5-dione, 1-[(acetyloxy)methyl]-Maleimide, N-(hydroxymethyl)-, acetate1-((Acetyloxy)methyl)-1H-pyrrole-2,5-dione1-[(Acetyloxy)methyl]-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-((acetyloxy)methyl)-
Show more names
MIRA-3Acetic acid (2,5-dioxo-2,5-dihydro-1H-pyrrole)-1-ylmethyl ester
NSC19629N-acetoxymethylmaleimideUNII-TQZ6TD9N6WMaleimide, acetate (ester)SCHEMBL2756782DTXSID70996002YJMUOPDZZMNVMR-UHFFFAOYSA-N1H-Pyrrole-2, 1-[(acetyloxy)methyl]-
Database identifiers
- CAS
7450-68-2- PubChem CID
- 227680
- DTXSID
DTXSID70996002- UNII
- TQZ6TD9N6W
- Nikkaji
- J102.291A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- FDA UNII
- 6 TD9N6W · TQZ6TD9N6W
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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