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MCULE-2191096686-1
Structure
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- 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 | 30 USD | 95 | 12 working days | Get Quote |
| 5 mg | 30 USD | 95 | 12 working days | Get Quote |
| 10 mg | 30 USD | 95 | 12 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2191096686-1.sdf |
| SMILES | MCULE-2191096686-1.smiles |
| Standard InChI | MCULE-2191096686-1.inchi |
| InChIKey | MCULE-2191096686-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636787 | 98 | As an isomer | in stock |
| P-875801530 | N/A | As an isomer | in stock |
| P-903156483 | 98 | As an isomer | 20 g |
| P-893509132 | 90 | As an isomer | 20 g |
| P-606915883 | N/A | As an isomer | in stock |
| P-596995898 | 98 | As an isomer | 20 g |
| P-864090496 | 97 | As an isomer | in stock |
| P-873437393 | 98 | As an isomer | 9.7 g |
| P-851288574 | 95 | As an isomer | by synthesis |
| P-868598391 | 98 | As an isomer | in stock |
| P-500155013 | 96 | As an isomer | in stock |
| P-563388185 | 97 | As an isomer | 5 g |
| P-615654144 | 95 | As an isomer | in stock |
| P-601072526 | 90 | As an isomer | 269 mg |
| P-14061897 | 95 | As an isomer | 269 mg |
| P-854768731 | 95 | As an isomer | by synthesis |
| P-888876534 | N/A | As an isomer | in stock |
| P-611434715 | 90 | As an isomer | in stock |
| P-667021336 | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 149.193 |
| logP | 2.1734 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 61.9 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 47.0118 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
