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MCULE-1113222985-1
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 | 7 USD | N/A | 14 working days | Get Quote |
| 5 mg | 7 USD | N/A | 14 working days | Get Quote |
| 10 mg | 7 USD | N/A | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-1113222985-1.sdf |
| SMILES | MCULE-1113222985-1.smiles |
| Standard InChI | MCULE-1113222985-1.inchi |
| InChIKey | MCULE-1113222985-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903046599 | N/A | As is | 1000 g |
| P-1264053922 | 95 | As is | in stock |
| P-489119991 | 97 | As is | in stock |
| P-889740712 | 95 | As is | 500 g |
| P-881633715 | 98 | As is | in stock |
| P-868612616 | 98 | As is | in stock |
| P-852504791 | N/A | As is | in stock |
| P-896629416 | 95 | As is | by synthesis |
| P-854693510 | 95 | As is | in stock |
| P-584621128 | 95 | As is | in stock |
| P-619672475 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.072 |
| logP | -0.2882 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 24.4116 |
| Atoms | 12 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
