ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate
Basic information
- CAS
5556-29-6- Standard SMILES
CCOC(=O)c1sc2cc[nH]c2c1O- InChIKey
ZKRYGBGWZYNKMX-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031432
Names & identifiers
- Preferred name
- ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate
- IUPAC
- ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylate
Names & synonyms
NSC1578195556-29-6ethyl 3-hydroxy-4H-thieno[3,2-b]pyrrole-2-carboxylateDTXSID50303311NSC-157819
Database identifiers
- CAS
5556-29-6- PubChem CID
- 292173
- DTXSID
DTXSID50303311
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
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Compound notes
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