2-(ethoxycarbonyl)-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Basic information
- CAS
885519-04-0- Standard SMILES
CCOC(=O)C(=Cc1ccc[nH]1)C(=O)O- InChIKey
POPOVTPAFRHTMJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 2-(ethoxycarbonyl)-3-(1H-pyrrol-2-yl)prop-2-enoic acid
- IUPAC
- 2-ethoxycarbonyl-3-(1H-pyrrol-2-yl)prop-2-enoic acid
Names & synonyms
885519-04-01-Ethyl 2-(1H-pyrrol-2-ylmethylene)propanedioate2-(ethoxycarbonyl)-3-(1H-pyrrol-2-yl)prop-2-enoic acidDTXSID501237835
Database identifiers
- CAS
885519-04-0- PubChem CID
- 255674
- DTXSID
DTXSID501237835
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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