Basic information
- CAS
481053-70-7- Standard SMILES
Cc1c(C=O)c[nH]c1-c1ccccc1- InChIKey
KALQKRMRSPDPHW-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 4-Methyl-5-phenyl-1H-pyrrole-3-carbaldehyde
- IUPAC
- 4-methyl-5-phenyl-1H-pyrrole-3-carbaldehyde
Names & synonyms
4-Methyl-5-phenyl-1H-pyrrole-3-carbaldehyde481053-70-7SCHEMBL1156514DTXSID20786415KALQKRMRSPDPHW-UHFFFAOYSA-NDB-123535
Database identifiers
- CAS
481053-70-7- PubChem CID
- 71362812
- DTXSID
DTXSID20786415- Nikkaji
- J1.778.317C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Related reactions
61 records
Compound notes
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