CS-0699748
Sodium 5-methoxy-2-methyl-4-(3-oxobutanamido)benzenesulfonate
Manufacturer: ChemScene
CAS Number: 133167-77-8
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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
C₁₂H₁₄NNaO₆S
Molecular Weight
323.30
Synonyms
None
SMILES
[Na+].COC1=C(NC(=O)CC(C)=O)C=C(C)C(=C1)S([O-])(=O)=O
Tpsa
112.6
Logp
-2.17068
H Acceptors
6
H Donors
1
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 133167-77-8 | Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, sodium salt (1:1) | 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
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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: C₁₂H₁₄NNaO₆S
Molecular Weight: 323.30
Synonyms: None
SMILES: [Na+].COC1=C(NC(=O)CC(C)=O)C=C(C)C(=C1)S([O-])(=O)=O
Tpsa: 112.6
Logp: -2.17068
H Acceptors: 6
H Donors: 1
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:
C₁₂H₁₄NNaO₆S
Molecular Weight:
323.30
Synonyms:
None
SMILES:
[Na+].COC1=C(NC(=O)CC(C)=O)C=C(C)C(=C1)S([O-])(=O)=O
Tpsa:
112.6
Logp:
-2.17068
H Acceptors:
6
H Donors:
1
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: C₁₃H₁₄N₂O
Molecular Weight: 214.26
Synonyms: None
SMILES: CC1=CC(C=C(O1)C(C)(C)C)=C(C#N)C#N
Tpsa: 56.81
Logp: 3.19416
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₄N₂O
Molecular Weight:
214.26
Synonyms:
None
SMILES:
CC1=CC(C=C(O1)C(C)(C)C)=C(C#N)C#N
Tpsa:
56.81
Logp:
3.19416
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄NO₄P
Molecular Weight: 219.17
Synonyms: None
SMILES: CCOP(=O)(CC1=CC=NO1)OCC
Tpsa: 61.56
Logp: 2.4407
H Acceptors: 5
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:
C₈H₁₄NO₄P
Molecular Weight:
219.17
Synonyms:
None
SMILES:
CCOP(=O)(CC1=CC=NO1)OCC
Tpsa:
61.56
Logp:
2.4407
H Acceptors:
5
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: C₄H₂O₆
Molecular Weight: 146.06
Synonyms: None
SMILES: OC(=O)C(=O)C(=O)C(O)=O
Tpsa: 108.74
Logp: -1.7062
H Acceptors: 4
H Donors: 2
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:
C₄H₂O₆
Molecular Weight:
146.06
Synonyms:
None
SMILES:
OC(=O)C(=O)C(=O)C(O)=O
Tpsa:
108.74
Logp:
-1.7062
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3