Ethyl 2,5-dioxopyrrole-1-carboxylate
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Basic information
- CAS
55750-49-7- Standard SMILES
CCOC(=O)N1C(=O)C=CC1=O- InChIKey
XUXSQROIUORWRI-UHFFFAOYSA-N- Molecular formula
- C7H7NO4
- Average molar mass
- 169.13 g/mol
- Monoisotopic mass
- 169.0375077
Names & identifiers
- Preferred name
- Ethyl 2,5-dioxopyrrole-1-carboxylate
- IUPAC
- ethyl 2,5-dioxopyrrole-1-carboxylate
- English name
- Ethyl 2,5-Dioxopyrrole-1-carboxylate
- Molecular formula
- C7H7NO4
- Molecular weight
- 169.13
Names & synonyms
55750-49-7ethyl 2,5-dioxopyrrole-1-carboxylateethyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylateMFCD16619570N-carboethoxymaleimideN-ethoxycarbonyl-maleimideSCHEMBL16783071H-Pyrrole-1-carboxylic acid, 2,5-dihydro-2,5-dioxo-, ethyl esterAKOS015902462AC-23483SY013163Ethyl 25-dioxo-25-dihydro-1H-pyrrole-1-carboxylate
Show more names
NSC 266054N-Ethyoxycarbonyl MaleiMideethyl 2,5-dioxo-2H-pyrrole-1(5H)-carboxylate
n-ethoxycarbonylmaleimideN-carbethoxymaleimideNSC266054A870103XUXSQROIUORWRI-UHFFFAOYSADTXSID30313039XUXSQROIUORWRI-UHFFFAOYSA-NFCA75049
Database identifiers
- CAS
55750-49-7- PubChem CID
- 319934
- DTXSID
DTXSID30313039- Nikkaji
- J3.475.567A
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 257.3 · 257.3±23.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -3.11 · -3.11±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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