4-(3,5-Di-2-furanyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxo-2-butenoic acid
Basic information
- CAS
690221-99-9- Standard SMILES
O=C(O)C=CC(=O)N1N=C(c2ccco2)CC1c1ccco1- InChIKey
BWBGMZWSRKOJRE-UHFFFAOYSA-N- Molecular formula
- C15H12N2O5
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.07462149
Names & identifiers
- Preferred name
- 4-(3,5-Di-2-furanyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxo-2-butenoic acid
- IUPAC
- 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobut-2-enoic acid
Names & synonyms
DTXSID1011535964-(3,5-Di-2-furanyl-4,5-dihydro-1H-pyrazol-1-yl)-4-oxo-2-butenoic acid690221-99-94-[3,5-Di(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid
Database identifiers
- CAS
690221-99-9- PubChem CID
- 3825367
- DTXSID
DTXSID101153596
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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