CS-0346691
Methyl 3-cyano-2-oxo-3-(pyridin-2-yl)propanoate
Manufacturer: ChemScene
CAS Number: 182218-15-1
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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
C₁₀H₈N₂O₃
Molecular Weight
204.18
Synonyms
2-Pyridinepropanoic acid, β-cyano-α-oxo-, methyl ester
SMILES
O=C(OC)C(C(C#N)C1=NC=CC=C1)=O
Tpsa
80.05
Logp
0.43088
H Acceptors
5
H Donors
0
Rotatable Bonds
3
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: C₁₀H₈N₂O₃
Molecular Weight: 204.18
Synonyms: 2-Pyridinepropanoic acid, β-cyano-α-oxo-, methyl ester
SMILES: O=C(OC)C(C(C#N)C1=NC=CC=C1)=O
Tpsa: 80.05
Logp: 0.43088
H Acceptors: 5
H Donors: 0
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:
C₁₀H₈N₂O₃
Molecular Weight:
204.18
Synonyms:
2-Pyridinepropanoic acid, β-cyano-α-oxo-, methyl ester
SMILES:
O=C(OC)C(C(C#N)C1=NC=CC=C1)=O
Tpsa:
80.05
Logp:
0.43088
H Acceptors:
5
H Donors:
0
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: C₁₀H₁₀O₅
Molecular Weight: 210.18
Synonyms: None
SMILES: O=C(OC)C(C(C)C(C1=CC=CO1)=O)=O
Tpsa: 73.58
Logp: 0.8405
H Acceptors: 5
H Donors: 0
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:
C₁₀H₁₀O₅
Molecular Weight:
210.18
Synonyms:
None
SMILES:
O=C(OC)C(C(C)C(C1=CC=CO1)=O)=O
Tpsa:
73.58
Logp:
0.8405
H Acceptors:
5
H Donors:
0
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: C₉H₁₂O₄
Molecular Weight: 184.19
Synonyms: None
SMILES: O=C(OC)C(C(C)C(C1CC1)=O)=O
Tpsa: 60.44
Logp: 0.3437
H Acceptors: 4
H Donors: 0
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:
C₉H₁₂O₄
Molecular Weight:
184.19
Synonyms:
None
SMILES:
O=C(OC)C(C(C)C(C1CC1)=O)=O
Tpsa:
60.44
Logp:
0.3437
H Acceptors:
4
H Donors:
0
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: C₁₁H₂₃ClN₂O₂
Molecular Weight: 250.77
Synonyms: 3-(3-Aminopiperidin-1-yl)-2,2-dimethylpropionic acid methyl ester hydrochloride
SMILES: O=C(OC)C(C)(C)CN1CC(N)CCC1.[H]Cl
Tpsa: 55.56
Logp: 1.0305
H Acceptors: 4
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:
C₁₁H₂₃ClN₂O₂
Molecular Weight:
250.77
Synonyms:
3-(3-Aminopiperidin-1-yl)-2,2-dimethylpropionic acid methyl ester hydrochloride
SMILES:
O=C(OC)C(C)(C)CN1CC(N)CCC1.[H]Cl
Tpsa:
55.56
Logp:
1.0305
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3