3-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid
Structure Info
- Chemspace ID
- CSSB00020595845 (In-Stock Building Blocks)
- MFCD
- MFCD12027271
- IUPAC Name
- 3-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid
- Mol formula
- C16H17NO4
- Mol weight
- 287 Da
- Catalog Number(s)
- 038068, AA00J5YG, AG242010, AGN-PC-0VFHOA, AGNPC-0VFHOA, AI94084, ALBB-006815, BB01-4512, BD506649, BKB29464, CD11037991, CS-0359473, CSC020595845, E021460, FE117639, H24250, HY-W319865, LN00142576, LS-02455, ST00J7I0, TX00J76W, Y4189714, Y6384492
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.35
- Heavy atoms count
- 21
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
![Chemical structure of 3-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid (C16H17NO4) - CSSB00020595845](/st/structure/200/b260d4a129b9b1129c28c5db69f4ded0/CCOC%2528%253DO%2529C1%253DC%2528C%2529N%2528C%2528C%2529%253DC1%2529C1%253DCC%253DCC%2528%253DC1%2529C%2528O%2529%253DO.png "C16H17NO4")
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- CSSB00020595845
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 95 | 500 mg | 495.00 | |
| 1st Scientific LLC | 14 days | United States To: | 95 | 1 g | 536.80 | |
Description: 3-[3-(Ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-1-yl]benzoic acid; CAS: 876294-64-3 | ||||||
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