Structure Info
- Chemspace ID
- CSSS00000151112 (In-Stock Screening Compounds)
- CAS
- 13531-48-1
- MFCD
- MFCD00220156
- IUPAC Name
- methyl 3-cyanobenzoate
- Mol formula
- C9H7NO2
- Mol weight
- 161 Da
- Catalog Number(s)
- 13531-48-1, 24170, 30142, 387350-28-4, A015037929, A346945, AA003RP9, AB75769, AC014752, ACDS-041273, AD10522, ADB21507001, AG003RS1, AJ75769, ALBB-027292, AOS003RS1, AR003SH1, AS-14804, AXPR00825, ArZ-UP089984, ArZ-UP520299, BB008136, BB4LS-EN300-84964, BB58-0779, BBV-24868766, BD31809, C962315, CB16993, CD12151897, CS-W022828, CSC000151112, CSCR00000076019, D508070, D956500, EN300-84964, F078586, FM53597, HY-W042088, J90820, JH125180, LAN-B44170, LN00009116, LQT-B44253, M18532, M655, OR59829, OSSL_786835, PB24843275, PV-003010474471, R109798, RJC00610, RS20007350, SAB-006396, SC-18949, Z24765807, ZX-AE029685, ZX-RC058424, s_1458_472662_483916, s_1458____472662____483916, s_276436____14076652____14086516
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.83
- Heavy atoms count
- 12
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00000151112
Items Overall 10 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd | 5 days | Ukraine To: | 90 | 1 mg | 74 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 2 mg | 76 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 5 mg | 82 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 10 mg | 92 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 20 mg | 111 | |
| UORSY | 5 days | Ukraine To: | 90 | 1 mg | 74 | |
| UORSY | 5 days | Ukraine To: | 90 | 2 mg | 76 | |
| UORSY | 5 days | Ukraine To: | 90 | 5 mg | 82 | |
| UORSY | 5 days | Ukraine To: | 90 | 10 mg | 92 | |
| UORSY | 5 days | Ukraine To: | 90 | 20 mg | 111 |
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