CS-0881236
5-Cyano-4-methylisoxazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2581226-18-6
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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
C₆H₄N₂O₃
Molecular Weight
152.11
Synonyms
None
SMILES
O=C(C1=NOC(C#N)=C1C)O
Tpsa
87.12
Logp
0.5529
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: C₆H₄N₂O₃
Molecular Weight: 152.11
Synonyms: None
SMILES: O=C(C1=NOC(C#N)=C1C)O
Tpsa: 87.12
Logp: 0.5529
H Acceptors: 4
H Donors: 1
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:
C₆H₄N₂O₃
Molecular Weight:
152.11
Synonyms:
None
SMILES:
O=C(C1=NOC(C#N)=C1C)O
Tpsa:
87.12
Logp:
0.5529
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁NO₄
Molecular Weight: 209.20
Synonyms: None
SMILES: O=C(CCC1=NC=C(C(OC)=O)C=C1)O
Tpsa: 76.49
Logp: 0.8854
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁NO₄
Molecular Weight:
209.20
Synonyms:
None
SMILES:
O=C(CCC1=NC=C(C(OC)=O)C=C1)O
Tpsa:
76.49
Logp:
0.8854
H Acceptors:
4
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: C₁₃H₁₀BrClN₂O₃
Molecular Weight: 357.59
Synonyms: None
SMILES: O=C(C(N(CC1=C2C=C(Cl)C=C1Br)C2=O)CC3)NC3=O
Tpsa: 66.48
Logp: 1.8635
H Acceptors: 3
H Donors: 1
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:
C₁₃H₁₀BrClN₂O₃
Molecular Weight:
357.59
Synonyms:
None
SMILES:
O=C(C(N(CC1=C2C=C(Cl)C=C1Br)C2=O)CC3)NC3=O
Tpsa:
66.48
Logp:
1.8635
H Acceptors:
3
H Donors:
1
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: C₁₄H₁₀BrN₃O₃
Molecular Weight: 348.15
Synonyms: None
SMILES: N#CC1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C(Br)=C1
Tpsa: 90.27
Logp: 1.08178
H Acceptors: 4
H Donors: 1
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:
C₁₄H₁₀BrN₃O₃
Molecular Weight:
348.15
Synonyms:
None
SMILES:
N#CC1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C(Br)=C1
Tpsa:
90.27
Logp:
1.08178
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1