CS-0866964
5-Methylisoxazole-3,4-dicarboxylic acid
Manufacturer: ChemScene
CAS Number: 198135-45-4
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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
C₆H₅NO₅
Molecular Weight
171.11
Synonyms
None
SMILES
O=C(C1=NOC(C)=C1C(O)=O)O
Tpsa
100.63
Logp
0.37942
H Acceptors
4
H Donors
2
Rotatable Bonds
2
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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: C₆H₅NO₅
Molecular Weight: 171.11
Synonyms: None
SMILES: O=C(C1=NOC(C)=C1C(O)=O)O
Tpsa: 100.63
Logp: 0.37942
H Acceptors: 4
H Donors: 2
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:
C₆H₅NO₅
Molecular Weight:
171.11
Synonyms:
None
SMILES:
O=C(C1=NOC(C)=C1C(O)=O)O
Tpsa:
100.63
Logp:
0.37942
H Acceptors:
4
H Donors:
2
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: C₇H₁₀ClN₃O
Molecular Weight: 187.63
Synonyms: None
SMILES: O=CC1=CN=C(C(N)C)N=C1.Cl
Tpsa: 68.87
Logp: 0.7306
H Acceptors: 4
H Donors: 1
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:
C₇H₁₀ClN₃O
Molecular Weight:
187.63
Synonyms:
None
SMILES:
O=CC1=CN=C(C(N)C)N=C1.Cl
Tpsa:
68.87
Logp:
0.7306
H Acceptors:
4
H Donors:
1
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: C₁₀H₉F₃O₂
Molecular Weight: 218.17
Synonyms: None
SMILES: O=CC1=CC=C(C(C)(O)C(F)(F)F)C=C1
Tpsa: 37.3
Logp: 2.2689
H Acceptors: 2
H Donors: 1
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:
C₁₀H₉F₃O₂
Molecular Weight:
218.17
Synonyms:
None
SMILES:
O=CC1=CC=C(C(C)(O)C(F)(F)F)C=C1
Tpsa:
37.3
Logp:
2.2689
H Acceptors:
2
H Donors:
1
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: C₁₄H₂₁BO₃
Molecular Weight: 248.13
Synonyms: None
SMILES: O=C1C[C@]2([H])C=C(B3OC(C)(C)C(C)(C)O3)C[C@]2([H])C1
Tpsa: 35.53
Logp: 2.5432
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₁BO₃
Molecular Weight:
248.13
Synonyms:
None
SMILES:
O=C1C[C@]2([H])C=C(B3OC(C)(C)C(C)(C)O3)C[C@]2([H])C1
Tpsa:
35.53
Logp:
2.5432
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1