CS-0642519
5,5′,5′′-[(2,4,6-Trimethyl-1,3,5-benzenetriyl)tri-2,1-ethynediyl]tris[1,3-benzenedicarboxylic acid]
Manufacturer: ChemScene
CAS Number: 1347748-56-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₉H₂₄O₁₂
Molecular Weight
684.60
Synonyms
None
SMILES
O=C(C1=CC(C#CC2=C(C)C(C#CC3=CC(C(O)=O)=CC(C(O)=O)=C3)=C(C)C(C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C2C)=CC(C(O)=O)=C1)O
Tpsa
223.8
Logp
5.00046
H Acceptors
6
H Donors
6
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1347748-56-4 | | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₉H₂₄O₁₂
Molecular Weight: 684.60
Synonyms: None
SMILES: O=C(C1=CC(C#CC2=C(C)C(C#CC3=CC(C(O)=O)=CC(C(O)=O)=C3)=C(C)C(C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C2C)=CC(C(O)=O)=C1)O
Tpsa: 223.8
Logp: 5.00046
H Acceptors: 6
H Donors: 6
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₉H₂₄O₁₂
Molecular Weight:
684.60
Synonyms:
None
SMILES:
O=C(C1=CC(C#CC2=C(C)C(C#CC3=CC(C(O)=O)=CC(C(O)=O)=C3)=C(C)C(C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C2C)=CC(C(O)=O)=C1)O
Tpsa:
223.8
Logp:
5.00046
H Acceptors:
6
H Donors:
6
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₂₆O₈
Molecular Weight: 538.54
Synonyms: None
SMILES: O=C(C1=CC=C(C2=C3C=C(C(OC)=CC3=C(C4=C2C=C(OC)C(OC)=C4)C5=CC=C(C(O)=O)C=C5)OC)C=C1)O
Tpsa: 111.52
Logp: 6.7578
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₂₆O₈
Molecular Weight:
538.54
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=C3C=C(C(OC)=CC3=C(C4=C2C=C(OC)C(OC)=C4)C5=CC=C(C(O)=O)C=C5)OC)C=C1)O
Tpsa:
111.52
Logp:
6.7578
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₄O₅
Molecular Weight: 334.32
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)OC2=CC=C(C3=CC=C(C(O)=O)C=C3)C=C2)O
Tpsa: 83.83
Logp: 4.5423
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₄O₅
Molecular Weight:
334.32
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)OC2=CC=C(C3=CC=C(C(O)=O)C=C3)C=C2)O
Tpsa:
83.83
Logp:
4.5423
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₁₈Br₂N₂O₄
Molecular Weight: 510.18
Synonyms: None
SMILES: O=C(C1=CC=[N+](CC2=CC=C(C[N+]3=CC=C(C(O)=O)C=C3)C=C2)C=C1)O.[2Br-]
Tpsa: 82.36
Logp: -1.2414
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₁₈Br₂N₂O₄
Molecular Weight:
510.18
Synonyms:
None
SMILES:
O=C(C1=CC=[N+](CC2=CC=C(C[N+]3=CC=C(C(O)=O)C=C3)C=C2)C=C1)O.[2Br-]
Tpsa:
82.36
Logp:
-1.2414
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
6