CS-0567366
4-(Cyanomethyl)-2-methoxybenzoic acid
Manufacturer: ChemScene
CAS Number: 88709-31-3
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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
C₁₀H₉NO₃
Molecular Weight
191.18
Synonyms
None
SMILES
O=C(O)C1=CC=C(CC#N)C=C1OC
Tpsa
70.32
Logp
1.45948
H Acceptors
3
H Donors
1
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: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: None
SMILES: O=C(O)C1=CC=C(CC#N)C=C1OC
Tpsa: 70.32
Logp: 1.45948
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(CC#N)C=C1OC
Tpsa:
70.32
Logp:
1.45948
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: C₁₅H₁₆BF₂NO₂
Molecular Weight: 291.10
Synonyms: None
SMILES: FC1=C(C(B2OC(C)(C(C)(O2)C)C)=CC=N3)C3=CC(F)=C1
Tpsa: 31.35
Logp: 2.8122
H Acceptors: 3
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:
C₁₅H₁₆BF₂NO₂
Molecular Weight:
291.10
Synonyms:
None
SMILES:
FC1=C(C(B2OC(C)(C(C)(O2)C)C)=CC=N3)C3=CC(F)=C1
Tpsa:
31.35
Logp:
2.8122
H Acceptors:
3
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: C₁₂H₁₆N₂O₄
Molecular Weight: 252.27
Synonyms: 5-(tert-Butoxycarbonylamino-methyl)-pyridine-2-carboxylic acid
SMILES: O=C(C1=NC=C(CNC(OC(C)(C)C)=O)C=C1)O
Tpsa: 88.52
Logp: 1.8045
H Acceptors: 4
H Donors: 2
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:
C₁₂H₁₆N₂O₄
Molecular Weight:
252.27
Synonyms:
5-(tert-Butoxycarbonylamino-methyl)-pyridine-2-carboxylic acid
SMILES:
O=C(C1=NC=C(CNC(OC(C)(C)C)=O)C=C1)O
Tpsa:
88.52
Logp:
1.8045
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₂BrClN₂O₄S
Molecular Weight: 301.50
Synonyms: None
SMILES: O=S(C1=C(Br)C([N+]([O-])=O)=NC=C1)(Cl)=O
Tpsa: 90.17
Logp: 1.6798
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₂BrClN₂O₄S
Molecular Weight:
301.50
Synonyms:
None
SMILES:
O=S(C1=C(Br)C([N+]([O-])=O)=NC=C1)(Cl)=O
Tpsa:
90.17
Logp:
1.6798
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2