4-(Ethoxycarbonyl)-5-formyl-3-methyl-1h-pyrrole-2-carboxylic acid
Basic information
- CAS
5448-14-6- Standard SMILES
CCOC(=O)c1c(C=O)[nH]c(C(=O)O)c1C- InChIKey
LHSGWGYWHJLNRJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 4-(Ethoxycarbonyl)-5-formyl-3-methyl-1h-pyrrole-2-carboxylic acid
- IUPAC
- 4-ethoxycarbonyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid
Names & synonyms
5448-14-64-(ethoxycarbonyl)-5-formyl-3-methyl-1h-pyrrole-2-carboxylic acidDTXSID40280566RefChem:288987DTXCID90231720NSC174424-ethoxycarbonyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acidOprea1_705022Oprea1_807373SCHEMBL13982876LHSGWGYWHJLNRJ-UHFFFAOYSA-NNSC-17442
Show more names
AKOS000301164ST502431484-methyl-3-carbethoxy-5-carboxy-2-formylpyrroleSR-01000317177SR-01000317177-14-(ethoxycarbonyl)-5-formyl-3-methylpyrrole-2-carboxylic acid5-Formyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid,4-ethyl ester
Database identifiers
- CAS
5448-14-6- PubChem CID
- 226728
- DTXSID
DTXSID40280566- Nikkaji
- J1.554.795B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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