1,3-Cyclopentadiene-1-carboxaldehyde
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CAS Number -
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Catalog Number io-406909
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Molecular Weight 94.1100
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SMILES
| Size | QTY | Notes | |
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No description available for this item
| 1 | cyclopenta-1,3-diene-1-carbaldehyde |
| 2 | 1,3-Cyclopentadiene-1-carboxaldehyde |
| 3 | SCHEMBL878822 |
| 4 | SCHEMBL1448500 |
| 5 | HPMRWTBJVLFWEO-UHFFFAOYSA- |
| Molecular Formula | C6H6O |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 94.1100 |
| InChIKey | HPMRWTBJVLFWEO-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H6O/c7-5-6-3-1-2-4-6/h1-3,5H,4H2 |
| XLogP | 1.1000 |
| ExactMass | 94.0419 |
| MonoisotopicMass | 94.0419 |
| TPSA | 17.1000 |
| Complexity | 131.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 266 |
| PatentFamilyCount | 152 |
| LiteratureCount | 4 |
