Trisodium 5-{[(1Z)-3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene](2,6-dichloro-3-sulfonatophenyl)methyl}-2-hydroxy-3-methylbenzoate
Structure Info
- Chemspace ID
- CSSB00020677578 (In-Stock Building Blocks)
- MFCD
- MFCD00001615
- IUPAC Name
- trisodium 5-{[(1Z)-3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene](2,6-dichloro-3-sulfonatophenyl)methyl}-2-hydroxy-3-methylbenzoate
- Mol formula
- C23H13Cl2Na3O9S
- Mol weight
- 605 Da
- Catalog Number(s)
- 1667-99-8, 22775, 291390, AA001WTW, AA89104, AKOS004901558, AKOS040896033, APB1667998, BBLS00020677578, C0979, CSC020677578, CSC132313568, D0241, D89339, LN01115684, SAB-058507, Y1482804, Z3642, ZXC332755, bbls00020677578
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.35
- Heavy atoms count
- 38
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.086
- Polar surface area (Å)
- 175
- Hydrogen bond acceptors count
- 9
- Hydrogen bond donors count
- 1
methyl}-2-hydroxy-3-methylbenzoate (C23H13Cl2Na3O9S) - CSSB00020677578](/st/structure/200/38e65a861c03395837df8e0d7c87f8fc/%255BNa%252B%255D.%255BNa%252B%255D.%255BNa%252B%255D.CC1%253DC%255CC%2528C%253DC%2528C%2528%255BO-%255D%2529%253DO%2529C1%253DO%2529%253DC%2528%252FC1%253DCC%2528C%2529%253DC%2528O%2529C%2528%253DC1%2529C%2528%255BO-%255D%2529%253DO%2529C1%253DC%2528Cl%2529C%253DCC%2528%253DC1Cl%2529S%2528%255BO-%255D%2529%2528%253DO%2529%253DO.png "C23H13Cl2Na3O9S")
- Zoom the structure
- CSSB00020677578
Items Overall 8 items from 2 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 5 days | United States To: | 90 | 50 umol | 23.52 | |
| BB4LS US | 5 days | United States To: | 90 | 100 umol | 23.96 | |
| BB4LS US | 5 days | United States To: | 90 | 200 umol | 24.39 | |
| BB4LS US | 5 days | United States To: | 90 | 300 umol | 24.83 | |
| BB4LS US | 5 days | United States To: | 90 | 500 umol | 25.26 | |
| AK Scientific Inc. | 5 days | United States To: | 90 | 1 g | 24.20 | |
| AK Scientific Inc. | 5 days | United States To: | 90 | 5 g | 69.30 | |
| AK Scientific Inc. | 5 days | United States To: | 90 | 25 g | 222.20 | |
Description: Mordant Blue 29; CAS: 1667-99-8 | ||||||
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