CID 45092669
Basic information
- CAS
475502-71-7- Standard SMILES
O=CC1=CNC(=O)C1=O- InChIKey
SSLDEJJUNKRCBG-UHFFFAOYSA-N- Molecular formula
- C5H3NO3
- Average molar mass
- 125.08 g/mol
Names & identifiers
- Preferred name
- CID 45092669
- IUPAC
- 4,5-dioxo-1H-pyrrole-3-carbaldehyde
- English name
- 1H-Pyrrole-3-carboxaldehyde,4,5-dihydro-4,5-dioxo-(9CI)
- Molecular formula
- C5H3NO3
- Molecular weight
- 125.08222
Names & synonyms
1H-Pyrrole-3-carboxaldehyde,4,5-dihydro-4,5-dioxo-(9CI)
Database identifiers
- CAS
475502-71-7
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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