CS-0564971
5,5',5''-((Nitrilotris(benzene-4,1-diyl))tris(ethyne-2,1-diyl))triisophthalic acid
Manufacturer: ChemScene
CAS Number: 1173285-14-7
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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
C₄₈H₂₇NO₁₂
Molecular Weight
809.73
Synonyms
None
SMILES
O=C(C1=CC(C#CC2=CC=C(N(C3=CC=C(C=C3)C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)C5=CC=C(C=C5)C#CC6=CC(C(O)=O)=CC(C(O)=O)=C6)C=C2)=CC(C(O)=O)=C1)O
Tpsa
227.04
Logp
7.545
H Acceptors
7
H Donors
6
Rotatable Bonds
9
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: C₄₈H₂₇NO₁₂
Molecular Weight: 809.73
Synonyms: None
SMILES: O=C(C1=CC(C#CC2=CC=C(N(C3=CC=C(C=C3)C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)C5=CC=C(C=C5)C#CC6=CC(C(O)=O)=CC(C(O)=O)=C6)C=C2)=CC(C(O)=O)=C1)O
Tpsa: 227.04
Logp: 7.545
H Acceptors: 7
H Donors: 6
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₈H₂₇NO₁₂
Molecular Weight:
809.73
Synonyms:
None
SMILES:
O=C(C1=CC(C#CC2=CC=C(N(C3=CC=C(C=C3)C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)C5=CC=C(C=C5)C#CC6=CC(C(O)=O)=CC(C(O)=O)=C6)C=C2)=CC(C(O)=O)=C1)O
Tpsa:
227.04
Logp:
7.545
H Acceptors:
7
H Donors:
6
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₀H₂₆O₉
Molecular Weight: 650.63
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC(OC3=CC(C4=CC=C(C(O)=O)C=C4)=CC(C5=CC=C(C(O)=O)C=C5)=C3)=CC(C6=CC=C(C(O)=O)C=C6)=C2)C=C1)O
Tpsa: 158.43
Logp: 8.9397
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₂₆O₉
Molecular Weight:
650.63
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC(OC3=CC(C4=CC=C(C(O)=O)C=C4)=CC(C5=CC=C(C(O)=O)C=C5)=C3)=CC(C6=CC=C(C(O)=O)C=C6)=C2)C=C1)O
Tpsa:
158.43
Logp:
8.9397
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₁₈O₁₀
Molecular Weight: 526.45
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC(C3=CC(C(O)=O)=CC(C(O)=O)=C3)=CC(C4=CC(C(O)=O)=CC(C(O)=O)=C4)=C2)C=C1)O
Tpsa: 186.5
Logp: 5.1786
H Acceptors: 5
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₁₈O₁₀
Molecular Weight:
526.45
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC(C3=CC(C(O)=O)=CC(C(O)=O)=C3)=CC(C4=CC(C(O)=O)=CC(C(O)=O)=C4)=C2)C=C1)O
Tpsa:
186.5
Logp:
5.1786
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD00192422
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₂O₂
Molecular Weight: 260.29
Synonyms: 1-Pyreneacetic acid
SMILES: O=C(CC1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4)O
Tpsa: 37.3
Logp: 4.2111
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD00192422
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₂O₂
Molecular Weight:
260.29
Synonyms:
1-Pyreneacetic acid
SMILES:
O=C(CC1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4)O
Tpsa:
37.3
Logp:
4.2111
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2