CS-0565736
3-Cyano-4-isopropylbenzoic acid
Manufacturer: ChemScene
CAS Number: 213598-08-4
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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
C₁₁H₁₁NO₂
Molecular Weight
189.21
Synonyms
None
SMILES
O=C(O)C1=CC=C(C(C)C)C(C#N)=C1
Tpsa
61.09
Logp
2.37988
H Acceptors
2
H Donors
1
Rotatable Bonds
2
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 213598-08-4 | 3-cyano-4-isopropylbenzoic acid | A2B Chem | -- |
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: C₁₁H₁₁NO₂
Molecular Weight: 189.21
Synonyms: None
SMILES: O=C(O)C1=CC=C(C(C)C)C(C#N)=C1
Tpsa: 61.09
Logp: 2.37988
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:
C₁₁H₁₁NO₂
Molecular Weight:
189.21
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C(C)C)C(C#N)=C1
Tpsa:
61.09
Logp:
2.37988
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: C₈H₁₃NOS
Molecular Weight: 171.26
Synonyms: None
SMILES: CC(C)(C)C(O1)=CN=C1CS
Tpsa: 26.03
Logp: 2.4019
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:
C₈H₁₃NOS
Molecular Weight:
171.26
Synonyms:
None
SMILES:
CC(C)(C)C(O1)=CN=C1CS
Tpsa:
26.03
Logp:
2.4019
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: C₁₀H₁₂N₂O₃
Molecular Weight: 208.21
Synonyms: None
SMILES: NC[C@H](O)C(C=CC=C1N2)=C1OCC2=O
Tpsa: 84.58
Logp: 0.0096
H Acceptors: 4
H Donors: 3
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:
C₁₀H₁₂N₂O₃
Molecular Weight:
208.21
Synonyms:
None
SMILES:
NC[C@H](O)C(C=CC=C1N2)=C1OCC2=O
Tpsa:
84.58
Logp:
0.0096
H Acceptors:
4
H Donors:
3
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: C₁₀H₁₂N₂O₃
Molecular Weight: 208.21
Synonyms: None
SMILES: NC[C@@H](O)C(C=CC=C1N2)=C1OCC2=O
Tpsa: 84.58
Logp: 0.0096
H Acceptors: 4
H Donors: 3
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:
C₁₀H₁₂N₂O₃
Molecular Weight:
208.21
Synonyms:
None
SMILES:
NC[C@@H](O)C(C=CC=C1N2)=C1OCC2=O
Tpsa:
84.58
Logp:
0.0096
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
2