CS-0047545
(Z)-4-Methoxy-4-oxo-2-(pyridin-3-ylmethylene)butanoic acid
Manufacturer: ChemScene
CAS Number: None
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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
C₁₁H₁₁NO₄
Molecular Weight
221.21
Synonyms
None
SMILES
O=C(O)/C(CC(OC)=O)=C\C1=CC=CN=C1
Tpsa
76.49
Logp
1.1127
H Acceptors
4
H Donors
1
Rotatable Bonds
4
Other Options
...
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: C₁₁H₁₁NO₄
Molecular Weight: 221.21
Synonyms: None
SMILES: O=C(O)/C(CC(OC)=O)=C\C1=CC=CN=C1
Tpsa: 76.49
Logp: 1.1127
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:
C₁₁H₁₁NO₄
Molecular Weight:
221.21
Synonyms:
None
SMILES:
O=C(O)/C(CC(OC)=O)=C\C1=CC=CN=C1
Tpsa:
76.49
Logp:
1.1127
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 95+%
MDL No: MFCD10686910
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₄ClFN₂O₂S
Molecular Weight: 280.75
Synonyms: 1-[(3-fluorophenyl)sulfonyl]piperazine hydrochloride
SMILES: O=S(N1CCNCC1)(C2=CC=CC(F)=C2)=O.[H]Cl
Tpsa: 49.41
Logp: 0.8414
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95+%
MDL No:
MFCD10686910
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₄ClFN₂O₂S
Molecular Weight:
280.75
Synonyms:
1-[(3-fluorophenyl)sulfonyl]piperazine hydrochloride
SMILES:
O=S(N1CCNCC1)(C2=CC=CC(F)=C2)=O.[H]Cl
Tpsa:
49.41
Logp:
0.8414
H Acceptors:
3
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: C₁₁H₁₉NO₃
Molecular Weight: 213.27
Synonyms: 1,1-Dimethylethyl (1S,4R,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILES: O=C(N1[C@](C2)([H])C[C@H](O)[C@@]2([H])C1)OC(C)(C)C
Tpsa: 49.77
Logp: 1.3766
H Acceptors: 3
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:
C₁₁H₁₉NO₃
Molecular Weight:
213.27
Synonyms:
1,1-Dimethylethyl (1S,4R,5S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
SMILES:
O=C(N1[C@](C2)([H])C[C@H](O)[C@@]2([H])C1)OC(C)(C)C
Tpsa:
49.77
Logp:
1.3766
H Acceptors:
3
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: C₁₃H₁₀FNO
Molecular Weight: 215.22
Synonyms: None
SMILES: OC1=CC=C(/C=N/C2=CC=C(F)C=C2)C=C1
Tpsa: 32.59
Logp: 3.918
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:
C₁₃H₁₀FNO
Molecular Weight:
215.22
Synonyms:
None
SMILES:
OC1=CC=C(/C=N/C2=CC=C(F)C=C2)C=C1
Tpsa:
32.59
Logp:
3.918
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2