1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester
Basic information
- CAS
117648-80-3- Standard SMILES
COC(=O)c1c(-c2ccccc2)cn(C)c1C- InChIKey
ATTSQWLATWOREI-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl ester
- IUPAC
- methyl 1,2-dimethyl-4-phenylpyrrole-3-carboxylate
Names & synonyms
117648-80-3methyl 1,2-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate1H-Pyrrole-3-carboxylic acid, 1,2-dimethyl-4-phenyl-, methyl esterNSC615469DTXSID00326777NSC-615469
Database identifiers
- CAS
117648-80-3- PubChem CID
- 357280
- DTXSID
DTXSID00326777
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…