CS-0874565
3-(Acetyloxy)-5-[(1,4-dioxopentyl)oxy]benzoic acid
Manufacturer: ChemScene
CAS Number: 861446-21-1
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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
C₁₄H₁₄O₇
Molecular Weight
294.26
Synonyms
None
SMILES
O=C(C1=CC(OC(CCC(C)=O)=O)=CC(OC(C)=O)=C1)O
Tpsa
117.97
Logp
1.5676
H Acceptors
6
H Donors
2
Rotatable Bonds
6
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: C₁₄H₁₄O₇
Molecular Weight: 294.26
Synonyms: None
SMILES: O=C(C1=CC(OC(CCC(C)=O)=O)=CC(OC(C)=O)=C1)O
Tpsa: 117.97
Logp: 1.5676
H Acceptors: 6
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:
C₁₄H₁₄O₇
Molecular Weight:
294.26
Synonyms:
None
SMILES:
O=C(C1=CC(OC(CCC(C)=O)=O)=CC(OC(C)=O)=C1)O
Tpsa:
117.97
Logp:
1.5676
H Acceptors:
6
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: C₁₀H₁₂N₂O
Molecular Weight: 176.22
Synonyms: None
SMILES: CNC(C#N)C1=CC=C(C=C1)OC
Tpsa: 45.05
Logp: 1.47928
H Acceptors: 3
H Donors: 1
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:
C₁₀H₁₂N₂O
Molecular Weight:
176.22
Synonyms:
None
SMILES:
CNC(C#N)C1=CC=C(C=C1)OC
Tpsa:
45.05
Logp:
1.47928
H Acceptors:
3
H Donors:
1
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: C₁₂H₁₄F₃O₄P
Molecular Weight: 310.21
Synonyms: None
SMILES: CCOP(=O)(C(=O)C1=CC(=CC=C1)C(F)(F)F)OCC
Tpsa: 52.6
Logp: 4.1117
H Acceptors: 4
H Donors: 0
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:
C₁₂H₁₄F₃O₄P
Molecular Weight:
310.21
Synonyms:
None
SMILES:
CCOP(=O)(C(=O)C1=CC(=CC=C1)C(F)(F)F)OCC
Tpsa:
52.6
Logp:
4.1117
H Acceptors:
4
H Donors:
0
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: C₁₅H₁₆B₂O₅
Molecular Weight: 297.91
Synonyms: None
SMILES: B(C1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)B(O)O)(C)C)(O)O
Tpsa: 90.15
Logp: -0.5222
H Acceptors: 5
H Donors: 4
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₆B₂O₅
Molecular Weight:
297.91
Synonyms:
None
SMILES:
B(C1=C2C(=CC=C1)C(C3=CC=CC(=C3O2)B(O)O)(C)C)(O)O
Tpsa:
90.15
Logp:
-0.5222
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
2