CS-0170036
5-((4-Carboxy-2-methylphenyl)ethynyl)isophthalic acid
Manufacturer: ChemScene
CAS Number: 2007142-71-2
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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
C₁₈H₁₂O₆
Molecular Weight
324.28
Synonyms
None
SMILES
O=C(O)C1=CC(C#CC2=CC=C(C(O)=O)C=C2C)=CC(C(O)=O)=C1
Tpsa
111.9
Logp
2.48942
H Acceptors
3
H Donors
3
Rotatable Bonds
3
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: C₁₈H₁₂O₆
Molecular Weight: 324.28
Synonyms: None
SMILES: O=C(O)C1=CC(C#CC2=CC=C(C(O)=O)C=C2C)=CC(C(O)=O)=C1
Tpsa: 111.9
Logp: 2.48942
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:
C₁₈H₁₂O₆
Molecular Weight:
324.28
Synonyms:
None
SMILES:
O=C(O)C1=CC(C#CC2=CC=C(C(O)=O)C=C2C)=CC(C(O)=O)=C1
Tpsa:
111.9
Logp:
2.48942
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₀H₁₈O₈
Molecular Weight: 506.46
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C2)C=C1)O
Tpsa: 149.2
Logp: 5.2132
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₁₈O₈
Molecular Weight:
506.46
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC(C3=CC=C(C(O)=O)C=C3)=CC(C#CC4=CC(C(O)=O)=CC(C(O)=O)=C4)=C2)C=C1)O
Tpsa:
149.2
Logp:
5.2132
H Acceptors:
4
H Donors:
4
Rotatable Bonds:
6
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₂O₉
Molecular Weight: 360.27
Synonyms: 5-(3,5-dicarboxybenzyloxy)-isophthalic acid
SMILES: O=C(O)C1=CC(OCC2=CC(C(O)=O)=CC(C(O)=O)=C2)=CC(C(O)=O)=C1
Tpsa: 158.43
Logp: 2.0584
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 7
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₂O₉
Molecular Weight:
360.27
Synonyms:
5-(3,5-dicarboxybenzyloxy)-isophthalic acid
SMILES:
O=C(O)C1=CC(OCC2=CC(C(O)=O)=CC(C(O)=O)=C2)=CC(C(O)=O)=C1
Tpsa:
158.43
Logp:
2.0584
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₂N₂O₄
Molecular Weight: 320.30
Synonyms: 1,4-phenylene diisonicotinate
SMILES: O=C(C1=CC=NC=C1)OC2=CC=C(OC(C3=CC=NC=C3)=O)C=C2
Tpsa: 78.38
Logp: 2.915
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₂N₂O₄
Molecular Weight:
320.30
Synonyms:
1,4-phenylene diisonicotinate
SMILES:
O=C(C1=CC=NC=C1)OC2=CC=C(OC(C3=CC=NC=C3)=O)C=C2
Tpsa:
78.38
Logp:
2.915
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4