CS-0142636
4,4',4'',4''',4'''',4'''''-(benzene-1,2,3,4,5,6-hexaylhexakis(ethyne-2,1-diyl))hexabenzoic acid
Manufacturer: ChemScene
CAS Number: 684216-81-7
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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
C₆₀H₃₀O₁₂
Molecular Weight
942.87
Synonyms
None
SMILES
OC(C(C=C1)=CC=C1C#CC2=C(C#CC3=CC=C(C(O)=O)C=C3)C(C#CC4=CC=C(C(O)=O)C=C4)=C(C#CC5=CC=C(C(O)=O)C=C5)C(C#CC6=CC=C(C(O)=O)C=C6)=C2C#CC7=CC=C(C(O)=O)C=C7)=O
Tpsa
223.8
Logp
8.2746
H Acceptors
6
H Donors
6
Rotatable Bonds
6
Related Products
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: C₆₀H₃₀O₁₂
Molecular Weight: 942.87
Synonyms: None
SMILES: OC(C(C=C1)=CC=C1C#CC2=C(C#CC3=CC=C(C(O)=O)C=C3)C(C#CC4=CC=C(C(O)=O)C=C4)=C(C#CC5=CC=C(C(O)=O)C=C5)C(C#CC6=CC=C(C(O)=O)C=C6)=C2C#CC7=CC=C(C(O)=O)C=C7)=O
Tpsa: 223.8
Logp: 8.2746
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:
C₆₀H₃₀O₁₂
Molecular Weight:
942.87
Synonyms:
None
SMILES:
OC(C(C=C1)=CC=C1C#CC2=C(C#CC3=CC=C(C(O)=O)C=C3)C(C#CC4=CC=C(C(O)=O)C=C4)=C(C#CC5=CC=C(C(O)=O)C=C5)C(C#CC6=CC=C(C(O)=O)C=C6)=C2C#CC7=CC=C(C(O)=O)C=C7)=O
Tpsa:
223.8
Logp:
8.2746
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: C₃₆H₂₄O₆
Molecular Weight: 552.57
Synonyms: None
SMILES: CC1=C(C#CC2=CC=C(C(O)=O)C=C2)C(C)=C(C#CC3=CC=C(C(O)=O)C=C3)C(C)=C1C#CC4=CC=C(C(O)=O)C=C4
Tpsa: 111.9
Logp: 5.90586
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₂₄O₆
Molecular Weight:
552.57
Synonyms:
None
SMILES:
CC1=C(C#CC2=CC=C(C(O)=O)C=C2)C(C)=C(C#CC3=CC=C(C(O)=O)C=C3)C(C)=C1C#CC4=CC=C(C(O)=O)C=C4
Tpsa:
111.9
Logp:
5.90586
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD30475792
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₄₃N₅O₈S
Molecular Weight: 705.82
Synonyms: None
SMILES: O=C(O)CNC([C@H](CCCNC(NS(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)(=O)=O)=N)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O)=O
Tpsa: 196.01
Logp: 4.01633
H Acceptors: 8
H Donors: 6
Rotatable Bonds: 12
Purity:
98%
MDL No:
MFCD30475792
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₄₃N₅O₈S
Molecular Weight:
705.82
Synonyms:
None
SMILES:
O=C(O)CNC([C@H](CCCNC(NS(C1=C(C)C(C)=C(OC(C)(C)C2)C2=C1C)(=O)=O)=N)NC(OCC3C4=C(C5=C3C=CC=C5)C=CC=C4)=O)=O
Tpsa:
196.01
Logp:
4.01633
H Acceptors:
8
H Donors:
6
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₇BrO₂
Molecular Weight: 167.00
Synonyms: (R)-2-BROMOBUTANOIC ACID
SMILES: Br[C@@H](C(O)=O)CC
Tpsa: 37.3
Logp: 1.2445
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₇BrO₂
Molecular Weight:
167.00
Synonyms:
(R)-2-BROMOBUTANOIC ACID
SMILES:
Br[C@@H](C(O)=O)CC
Tpsa:
37.3
Logp:
1.2445
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2