Drug-likeness Properties
sLogP
2.217
HBD
0
HBA
4
AS94841-G1
Ketones
Methyl 2,2-Dimethyl-4-oxochroman-8-carboxylate 95%
CAS: –
Molecular Formula
C13H14O4
Molecular Weight
234.25
MDL
MFCD31630153
Unit Size
Price per 1 g
€943.00
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PRODUCT ATTACHED TO REQUEST:
Methyl 2,2-Dimethyl-4-oxochroman-8-carboxylate 95%
Catalogue Number: AS94841-G1
C.A.S / related C.A.S
—
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AS94841-G1
General Information
| Catalog #: | AS94841-G1 |
|---|---|
| Formula: | C13H14O4 |
| Mass: | 234.25 |
| C.A.S. / related C.A.S: | |
| MDL: | MFCD31630153 |
| Appearance: | solid |
| Colour: | clear |
| Hazardous Classification: | Achtung / Warning |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2932990090 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 2.217 |
|---|---|
| LabuteASA: | 99.53030143 |
| TPSA: | 52.6 |
| NumRotatableBonds: | 1 |
| NumHBD: | 0 |
| NumHBA: | 4 |
| NumHeavyAtoms: | 17 |
| NumRings: | 2 |