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MCULE-3691541800
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 10 USD | 98 | 14 working days | Get Quote |
| 5 mg | 10 USD | 98 | 14 working days | Get Quote |
| 10 mg | 10 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-3691541800.sdf |
| SMILES | MCULE-3691541800.smiles |
| Standard InChI | MCULE-3691541800.inchi |
| InChIKey | MCULE-3691541800.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903061919 | 98 | As is | 50 g |
| P-905490465 | 95 | As is | 10 g |
| P-893585282 | 90 | As is | 138.797 g |
| P-889747905 | 95 | As is | 8.25 g |
| P-873438513 | 95 | As is | 2 g |
| P-872749473 | 97 | As is | in stock |
| P-889290626 | 98 | As is | 207.746 g |
| P-905355690 | 98 | As is | 18.5 g |
| P-856077807 | 95 | As is | in stock |
| P-1272603141 | N/A | As is | 50 g |
| P-852605963 | N/A | As is | by synthesis |
| P-872795037 | 95 | As is | in stock |
| P-888851012 | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 153.018 |
| logP | 1.0097 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 30.3738 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 9 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
