Structure Info
- Chemspace ID
- CSSB00000699194 (In-Stock Building Blocks)
- CAS
- 217197-04-1, 102016-01-3
- MFCD
- MFCD09878459
- IUPAC Name
- 4-nitro-2-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzoic acid
- Mol formula
- C14H17NO6
- Mol weight
- 295 Da
- Catalog Number(s)
- 217197-04-1, 87607, ACM217197041, AF34131, AR00BGZJ, BD32668, CSC000699194, EN300-130171, FN148238, JH210207, N498885, PB1627039597, Y3179211, Z1626962129, ZXC348359
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.83
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 99
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00000699194
Items Overall 7 items from 2 suppliers
Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
---|---|---|---|---|---|---|
Enamine US | 2 days | United States To: | 95 | 100 mg | 252 | |
Enamine US | 2 days | United States To: | 95 | 250 mg | 360 | |
Enamine US | 2 days | United States To: | 95 | 500 mg | 568 | |
A2B Chem | 12 days | United States To: | 95 | 50 mg | 405 | |
A2B Chem | 12 days | United States To: | 95 | 100 mg | 575 | |
A2B Chem | 12 days | United States To: | 95 | 250 mg | 797 | |
A2B Chem | 12 days | United States To: | 95 | 500 mg | 1,219 | |
Description: 4-Nitro-2-(2,5,5-trimethyl-[1,3]dioxan-2-yl)-benzoicacid; CAS: 217197-04-1 |
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