3-(5-Nitro-2-furyl)acrylic acid
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CAS Number 15341-58-9
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Catalog Number io-406884
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Molecular Weight 183.1200
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SMILES
| Size | QTY | Notes | |
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| 1 | 3-(5-Nitro-2-furyl)acrylic acid |
| 2 | 5-Nitro-2-furanacrylic acid |
| 3 | Nitrofurylacrylic acid |
| 4 | 2-Propenoic acid, 3-(5-nitro-2-furanyl)- |
| 5 | 5-nitro-2-furylacrylic acid |
| Molecular Formula | C7H5NO5 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 183.1200 |
| InChIKey | LWOWNIPZHGWKNR-DUXPYHPUSA-N |
| InChI | InChI=1S/C7H5NO5/c9-7(10)4-2-5-1-3-6(13-5)8(11)12/h1-4H,(H,9,10)/b4-2+ |
| XLogP | 0.7000 |
| ExactMass | 183.0168 |
| MonoisotopicMass | 183.0168 |
| TPSA | 96.3000 |
| Complexity | 244.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 1 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 41 |
| PatentFamilyCount | 19 |
| LiteratureCount | 46 |
