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MCULE-8685001700-3
Structure
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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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-8685001700-3.sdf |
| SMILES | MCULE-8685001700-3.smiles |
| Standard InChI | MCULE-8685001700-3.inchi |
| InChIKey | MCULE-8685001700-3.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648433 | 97 | As is | in stock |
| P-875815707 | N/A | As is | in stock |
| P-869194043 | 95 | As is | in stock |
| P-505392368 | 98 | As is | in stock |
| P-903177977 | 98 | As is | 3.5 kg |
| P-905481107 | 98 | As is | 100 g |
| P-606890411 | N/A | As is | in stock |
| P-489142114 | 97 | As is | in stock |
| P-895956392 | 95 | As is | 355 g |
| P-864110994 | 97 | As is | in stock |
| P-580724727 | 97 | As is | 645 g |
| P-868583331 | 98 | As is | in stock |
| P-505536470 | 95 | As is | in stock |
| P-579615651 | 95 | As is | 250 g |
| P-862530416 | N/A | As is | by synthesis |
| P-867943621 | 95 | As is | in stock |
| P-889880878 | 95 | As is | by synthesis |
| P-615391101 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 85.065 |
| logP | -0.902 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 61.54 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 19.2084 |
| Atoms | 9 |
| Rings | 1 |
| Heavy atoms | 6 |
| Hydrogen atoms | 3 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
