Basic information
- CAS
124901-12-8- Standard SMILES
CCOC(=O)c1[nH]cc(C)c1-c1ccccc1- InChIKey
ZXBOCLDHYGJYDU-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester
- IUPAC
- ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylate
Names & synonyms
124901-12-81H-Pyrrole-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl esterDTXSID60443772RefChem:240517DTXCID60394593Ethyl 4-methyl-3-phenyl-1H-pyrrole-2-carboxylateSCHEMBL1126789ZXBOCLDHYGJYDU-UHFFFAOYSA-NDB-360503ethyl 4-methyl-3-phenyl-1h-pyrrole-2-carboxy-late4-methyl-3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester
Database identifiers
- CAS
124901-12-8- PubChem CID
- 10704591
- DTXSID
DTXSID60443772- Nikkaji
- J3.196.010J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
4 records
Compound notes
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