Methyl 2-methyl-5-(propan-2-yl)benzoate
Structure Info
- Chemspace ID
- CSSB00053086690 (In-Stock Building Blocks)
- CAS
- 175792-40-2
- MFCD
- MFCD00599288, MFCD00599288
- IUPAC Name
- methyl 2-methyl-5-(propan-2-yl)benzoate
- Mol formula
- C12H16O2
- Mol weight
- 192 Da
- Catalog Number(s)
- A312214, BBLS00053086690, BBV-106083240, CSC053086690, EN300-22855525, FCH7901999, PV-003257580309, bbls00053086690, s_1458_18902744_483916, s_1458____18902744____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.74
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.416
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00053086690
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 707.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 741.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 776.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 809.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 842.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,650.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,443.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,622.00 |
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Substructure Analogs
![Chemical structure of methyl 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate - CSSB02515441103](/st/structure/200/1d3525484f6760026dbf626c2e1e905b/CCCCCC1%253DCC%2528O%2529%253DC%2528%255BC%2540%2540H%255D2C%253DC%2528C%2529CC%255BC%2540H%255D2C%2528C%2529%253DC%2529C%2528O%2529%253DC1C%2528%253DO%2529OC.png)
![Chemical structure of 3,5-dimethyl 4-[3-(methoxycarbonyl)-4-methylphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate - CSSB20539822855](/st/structure/200/770c754ff7abe52971a3db4e3b80e43e/COC%2528%253DO%2529C1%253DC%2528C%2529C%253DCC%2528%253DC1%2529C1C%2528C%2528%253DO%2529OC%2529%253DC%2528C%2529NC%2528C%2529%253DC1C%2528%253DO%2529OC.png)
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