CS-0887649
3-Cyano-5-isopropoxybenzoic acid
Manufacturer: ChemScene
CAS Number: 1306763-49-4
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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
O=C(O)C1=CC(OC(C)C)=CC(C#N)=C1
Tpsa
70.32
Logp
2.04368
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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
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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: O=C(O)C1=CC(OC(C)C)=CC(C#N)=C1
Tpsa: 70.32
Logp: 2.04368
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:
C₁₁H₁₁NO₃
Molecular Weight:
205.21
Synonyms:
None
SMILES:
O=C(O)C1=CC(OC(C)C)=CC(C#N)=C1
Tpsa:
70.32
Logp:
2.04368
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: C₁₀H₁₀FNO
Molecular Weight: 179.19
Synonyms: None
SMILES: N#CC1=CC=C(F)C=C1OC(C)C
Tpsa: 33.02
Logp: 2.48458
H Acceptors: 2
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:
C₁₀H₁₀FNO
Molecular Weight:
179.19
Synonyms:
None
SMILES:
N#CC1=CC=C(F)C=C1OC(C)C
Tpsa:
33.02
Logp:
2.48458
H Acceptors:
2
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: C₁₀H₁₀N₂O₃
Molecular Weight: 206.20
Synonyms: None
SMILES: N#CC1=CC=C(OC(C)C)C([N+]([O-])=O)=C1
Tpsa: 76.16
Logp: 2.25368
H Acceptors: 4
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:
C₁₀H₁₀N₂O₃
Molecular Weight:
206.20
Synonyms:
None
SMILES:
N#CC1=CC=C(OC(C)C)C([N+]([O-])=O)=C1
Tpsa:
76.16
Logp:
2.25368
H Acceptors:
4
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: C₁₀H₁₀FNO
Molecular Weight: 179.19
Synonyms: None
SMILES: N#CC1=CC=C(OC(C)C)C(F)=C1
Tpsa: 33.02
Logp: 2.48458
H Acceptors: 2
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:
C₁₀H₁₀FNO
Molecular Weight:
179.19
Synonyms:
None
SMILES:
N#CC1=CC=C(OC(C)C)C(F)=C1
Tpsa:
33.02
Logp:
2.48458
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2