Basic information
- CAS
168618-34-6- Standard SMILES
CCOC(=O)c1cccc(-n2c(C)ccc2C)c1- InChIKey
BNMHUEKMXWUBGV-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.12592879
Names & identifiers
- Preferred name
- Ethyl 3-(2,5-dimethylpyrrol-1-yl)benzoate
- IUPAC
- ethyl 3-(2,5-dimethylpyrrol-1-yl)benzoate
- English name
- ASISCHEM Y90303
- Molecular formula
- C15H17NO2
- Molecular weight
- 0
Names & synonyms
Ethyl 3-(2,5-dimethylpyrrol-1-yl)benzoate168618-34-6ethyl 3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoateSCHEMBL7823334BNMHUEKMXWUBGV-UHFFFAOYSA-NDTXSID201251830MFCD04082980AKOS000369553ASISCHEM Y903033-(2,5-DIMETHYL-1H-PYRROL-1-YL)-BENZOIC ACID ETHYL ESTERBENZOIC ACID, 3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-, ETHYL ESTER
Database identifiers
- CAS
168618-34-6- PubChem CID
- 905752
- DTXSID
DTXSID201251830
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Chemistry & industry
Suppliers1 total
ASISCHEM[email protected]
Related reactions
1 records
Compound notes
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