CS-0738971
Sodium 3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoate
Manufacturer: ChemScene
CAS Number: 820245-58-7
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Purity
98%
MDL No
MFCD06739454
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₂NNaO₂
Molecular Weight
237.23
Synonyms
None
SMILES
[Na+].CC1=CC=C(C)N1C1=CC(=CC=C1)C([O-])=O
Tpsa
45.06
Logp
-1.53836
H Acceptors
3
H Donors
0
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 820245-58-7 | 3-(2,5-Dimethyl-pyrrol-1-yl)-benzoic acid sodium salt | 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
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: MFCD06739454
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂NNaO₂
Molecular Weight: 237.23
Synonyms: None
SMILES: [Na+].CC1=CC=C(C)N1C1=CC(=CC=C1)C([O-])=O
Tpsa: 45.06
Logp: -1.53836
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD06739454
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂NNaO₂
Molecular Weight:
237.23
Synonyms:
None
SMILES:
[Na+].CC1=CC=C(C)N1C1=CC(=CC=C1)C([O-])=O
Tpsa:
45.06
Logp:
-1.53836
H Acceptors:
3
H Donors:
0
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: C₇H₆N₄O
Molecular Weight: 162.15
Synonyms: None
SMILES: NN1N=NC2=CC=CC=C2C1=O
Tpsa: 73.8
Logp: -0.4947
H Acceptors: 5
H Donors: 1
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:
C₇H₆N₄O
Molecular Weight:
162.15
Synonyms:
None
SMILES:
NN1N=NC2=CC=CC=C2C1=O
Tpsa:
73.8
Logp:
-0.4947
H Acceptors:
5
H Donors:
1
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: C₁₁H₁₅NO₃
Molecular Weight: 209.24
Synonyms: None
SMILES: CCOC(=O)C1=C(C)C(CC)=C(N1)C=O
Tpsa: 59.16
Logp: 1.87472
H Acceptors: 3
H Donors: 1
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:
C₁₁H₁₅NO₃
Molecular Weight:
209.24
Synonyms:
None
SMILES:
CCOC(=O)C1=C(C)C(CC)=C(N1)C=O
Tpsa:
59.16
Logp:
1.87472
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD02046526
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₇NO₂
Molecular Weight: 255.31
Synonyms: None
SMILES: NC(CC1=CC=CC=C1)C1=CC2=C(OCCO2)C=C1
Tpsa: 44.48
Logp: 2.7003
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD02046526
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇NO₂
Molecular Weight:
255.31
Synonyms:
None
SMILES:
NC(CC1=CC=CC=C1)C1=CC2=C(OCCO2)C=C1
Tpsa:
44.48
Logp:
2.7003
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3