Basic information
- CAS
1083380-66-8- Standard SMILES
O=Cc1cccn1Cc1ccc(C(=O)O)o1- InChIKey
IGGBUNJJWPIJSF-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- 2-Furancarboxylic acid, 5-[(2-formyl-1H-pyrrol-1-yl)methyl]-
- IUPAC
- 5-[(2-formylpyrrol-1-yl)methyl]furan-2-carboxylic acid
Names & synonyms
1083380-66-82-Furancarboxylic acid, 5-[(2-formyl-1H-pyrrol-1-yl)methyl]-2-Furancarboxylic acid, 5-((2-formyl-1H-pyrrol-1-yl)methyl)-RefChem:2612825-((2-Formyl-1H-pyrrol-1-yl)methyl)furan-2-carboxylic acid5-[(2-Formyl-1H-pyrrol-1-yl)methyl]furan-2-carboxylic acidDTXSID801186770AKOS022060305
Database identifiers
- CAS
1083380-66-8- PubChem CID
- 82017367
- DTXSID
DTXSID801186770
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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