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UNKNOWN STEREO
MCULE-5530851181
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 | 18 USD | 97 | 20 working days | Get Quote |
| 5 mg | 18 USD | 97 | 20 working days | Get Quote |
| 10 mg | 18 USD | 97 | 20 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-5530851181.sdf |
| SMILES | MCULE-5530851181.smiles |
| Standard InChI | MCULE-5530851181.inchi |
| InChIKey | MCULE-5530851181.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587579 | 97 | As is | in stock |
| P-875746619 | 95 | As is | in stock |
| P-590411017 | 95 | As is | by resynthesis (? - ? days) |
| P-1270352616 | 95 | As is | in stock |
| P-606880952 | N/A | As is | in stock |
| P-596954899 | 97 | As is | 300 g |
| P-864183800 | 95 | As is | in stock |
| P-580442523 | 95 | As is | by resynthesis (? - ? days) |
| P-611353958 | 90 | As is | in stock |
| P-1271663279 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.028 |
| logP | 1.1904 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 35.304 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
