4-(2-Carboxyethyl)-3-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
Basic information
- CAS
6317-47-1- Standard SMILES
CCOC(=O)c1c(CCC(=O)O)c[nH]c1C(=O)O- InChIKey
QRMYDHILXZUMRV-UHFFFAOYSA-N- Molecular formula
- C11H13NO6
- Average molar mass
- 255.22 g/mol
- Monoisotopic mass
- 255.07428713
Names & identifiers
- Preferred name
- 4-(2-Carboxyethyl)-3-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acid
- IUPAC
- 4-(2-carboxyethyl)-3-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid
Names & synonyms
6317-47-14-(2-carboxyethyl)-3-(ethoxycarbonyl)-1h-pyrrole-2-carboxylic acidNSC39475DTXSID50284873NSC-39475
Database identifiers
- CAS
6317-47-1- PubChem CID
- 236704
- DTXSID
DTXSID50284873
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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