Ethyl 5-(hydroxymethyl)-2,4-dimethyl-1h-pyrrole-3-carboxylate
Basic information
- CAS
5430-82-0- Standard SMILES
CCOC(=O)c1c(C)[nH]c(CO)c1C- InChIKey
PTSDHVPETXCHSV-UHFFFAOYSA-N- Molecular formula
- C10H15NO3
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.10519334
Names & identifiers
- Preferred name
- Ethyl 5-(hydroxymethyl)-2,4-dimethyl-1h-pyrrole-3-carboxylate
- IUPAC
- ethyl 5-(hydroxymethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Names & synonyms
ethyl 5-(hydroxymethyl)-2,4-dimethyl-1h-pyrrole-3-carboxylate5430-82-0NSC13429DTXSID30279621NSC-13429DS-011058
Database identifiers
- CAS
5430-82-0- PubChem CID
- 224711
- DTXSID
DTXSID30279621
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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