CS-0882662
3-(Methoxycarbonyl)-5-methylisoxazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1003584-56-2
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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
C₇H₇NO₅
Molecular Weight
185.13
Synonyms
None
SMILES
O=C(C1=NOC(C)=C1C(O)=O)OC
Tpsa
89.63
Logp
0.46782
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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: C₇H₇NO₅
Molecular Weight: 185.13
Synonyms: None
SMILES: O=C(C1=NOC(C)=C1C(O)=O)OC
Tpsa: 89.63
Logp: 0.46782
H Acceptors: 5
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:
C₇H₇NO₅
Molecular Weight:
185.13
Synonyms:
None
SMILES:
O=C(C1=NOC(C)=C1C(O)=O)OC
Tpsa:
89.63
Logp:
0.46782
H Acceptors:
5
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: C₁₄H₁₆BF₂NO₂S
Molecular Weight: 311.16
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=C(F)C(F)=C(SC(C)=N3)C3=C2)O1
Tpsa: 31.35
Logp: 3.18212
H Acceptors: 4
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:
C₁₄H₁₆BF₂NO₂S
Molecular Weight:
311.16
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=C(F)C(F)=C(SC(C)=N3)C3=C2)O1
Tpsa:
31.35
Logp:
3.18212
H Acceptors:
4
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: C₁₀H₉FO₄
Molecular Weight: 212.17
Synonyms: None
SMILES: O=C(C1=C(CC(OC)=O)C(F)=CC=C1)O
Tpsa: 63.6
Logp: 1.2394
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:
C₁₀H₉FO₄
Molecular Weight:
212.17
Synonyms:
None
SMILES:
O=C(C1=C(CC(OC)=O)C(F)=CC=C1)O
Tpsa:
63.6
Logp:
1.2394
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: C₁₀H₉NO₆
Molecular Weight: 239.18
Synonyms: None
SMILES: O=C(O)C1=CC=C([N+]([O-])=O)C=C1CC(OC)=O
Tpsa: 106.74
Logp: 1.0085
H Acceptors: 5
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:
C₁₀H₉NO₆
Molecular Weight:
239.18
Synonyms:
None
SMILES:
O=C(O)C1=CC=C([N+]([O-])=O)C=C1CC(OC)=O
Tpsa:
106.74
Logp:
1.0085
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4