CS-0867682
β-Cyano-2-methoxybenzenepropanoic acid
Manufacturer: ChemScene
CAS Number: 1268101-91-2
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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
C₁₁H₁₁NO₃
Molecular Weight
205.21
Synonyms
None
SMILES
N#CC(CC(O)=O)C1=C(OC)C=CC=C1
Tpsa
70.32
Logp
1.77708
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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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
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: C₁₁H₁₁NO₃
Molecular Weight: 205.21
Synonyms: None
SMILES: N#CC(CC(O)=O)C1=C(OC)C=CC=C1
Tpsa: 70.32
Logp: 1.77708
H Acceptors: 3
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:
C₁₁H₁₁NO₃
Molecular Weight:
205.21
Synonyms:
None
SMILES:
N#CC(CC(O)=O)C1=C(OC)C=CC=C1
Tpsa:
70.32
Logp:
1.77708
H Acceptors:
3
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: C₁₀H₈N₂O₄
Molecular Weight: 220.18
Synonyms: None
SMILES: N#CC(CC(O)=O)C1=CC=C([N+]([O-])=O)C=C1
Tpsa: 104.23
Logp: 1.67668
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:
C₁₀H₈N₂O₄
Molecular Weight:
220.18
Synonyms:
None
SMILES:
N#CC(CC(O)=O)C1=CC=C([N+]([O-])=O)C=C1
Tpsa:
104.23
Logp:
1.67668
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: C₉H₁₂N₂O₂
Molecular Weight: 180.20
Synonyms: None
SMILES: O=C(C1=NN=C(C(C)(C)C)C=C1)O
Tpsa: 63.08
Logp: 1.4723
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:
C₉H₁₂N₂O₂
Molecular Weight:
180.20
Synonyms:
None
SMILES:
O=C(C1=NN=C(C(C)(C)C)C=C1)O
Tpsa:
63.08
Logp:
1.4723
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: C₇H₈ClNO₂
Molecular Weight: 173.60
Synonyms: None
SMILES: COC1=CN=C(Cl)C=C1OC
Tpsa: 31.35
Logp: 1.7522
H Acceptors: 3
H Donors: 0
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:
C₇H₈ClNO₂
Molecular Weight:
173.60
Synonyms:
None
SMILES:
COC1=CN=C(Cl)C=C1OC
Tpsa:
31.35
Logp:
1.7522
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2