Structure Info
- Chemspace ID
- CSSS00011192752 (In-Stock Screening Compounds)
- CAS
- 1116-98-9
- MFCD
- MFCD00001938
- IUPAC Name
- tert-butyl 2-cyanoacetate
- Mol formula
- C7H11NO2
- Mol weight
- 141 Da
- Catalog Number(s)
- 1116-98-9, 2827584, A267483, A490016592, AA0035KC, AB07798, AB47080, AC003637, ACDS-038262, ACM1116989, ADB14510001, AG0035N4, AJ47080, AOS0035N4, AR0036C4, AX152959, ArZ-UP078755, ArZ-UP227252, B694005, BB002789, BB4LS-EN300-27210, BBV-428868, BD153001, C1441, CB00547, CD13026809, CM247752, CS-D1442, CSC011192752, CUS1250308388, D540937, D689202, D70419, EN300-27210, F043389, F8889-2500, FB142658, GS-3781, HY-Y1012, INT-1774, J90853, JH611930, LAN-B47692, LN00008264, LQT-B47787, OR55135, PB237651258, R026524, RS20002493, SAB-005656, SC-16419, SY007488, W-108669, W23414, X8980, Z237573790, ZX-AE018456, ZX-ARV13586, ZX-NM205151
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.93
- Heavy atoms count
- 10
- Rotatable bond count
- 3
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.71428571428571
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00011192752
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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