Drug-likeness Properties
sLogP
1.68978
HBD
0
HBA
2
AS120864-G1
Benzene
Aldehydes
3-(3-Oxo-propyl)-benzonitrile 97%
CAS: 111376-39-7
Molecular Formula
C10H9NO
Molecular Weight
159.18
MDL
MFCD13181191
Unit Size
Price per 1 g
€1,563.00
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PRODUCT ATTACHED TO REQUEST:
3-(3-Oxo-propyl)-benzonitrile 97%
Catalogue Number: AS120864-G1
C.A.S / related C.A.S
111376-39-7
Quality Guarantee
All products are tested and certified with CoA available upon request.
AS120864-G1
General Information
| Catalog #: | AS120864-G1 |
|---|---|
| Formula: | C10H9NO |
| Mass: | 159.18 |
| C.A.S. / related C.A.S: | 111376-39-7 |
| MDL: | MFCD13181191 |
| Appearance: | solid |
| Colour: | clear |
| Hazardous Classification: | Achtung / Warning |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2926907090 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 1.68978 |
|---|---|
| LabuteASA: | 71.44527336 |
| TPSA: | 40.86 |
| NumRotatableBonds: | 3 |
| NumHBD: | 0 |
| NumHBA: | 2 |
| NumHeavyAtoms: | 12 |
| NumRings: | 1 |