(1h-Pyrrol-2-ylmethylidene)propanedioic acid
Basic information
- CAS
33304-33-5- Standard SMILES
O=C(O)C(=Cc1ccc[nH]1)C(=O)O- InChIKey
VYWGYXYJDKVIGB-UHFFFAOYSA-N- Molecular formula
- C8H7NO4
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.0375077
Names & identifiers
- Preferred name
- (1h-Pyrrol-2-ylmethylidene)propanedioic acid
- IUPAC
- 2-(1H-pyrrol-2-ylmethylidene)propanedioic acid
Names & synonyms
(1h-pyrrol-2-ylmethylidene)propanedioic acid33304-33-5DTXSID70292293RefChem:204877DTXCID002434352-((1H-Pyrrol-2-yl)methylene)malonic acidNSC813652,2-dicarboxyvinylpyrroleCCG-40448NSC-81365AKOS006271960[(1H-Pyrrol-2-yl)methylidene]propanedioic acid
Database identifiers
- CAS
33304-33-5- PubChem CID
- 255673
- DTXSID
DTXSID70292293
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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