CS-0864041
3-Acetyl-4-methylbenzonitrile
Manufacturer: ChemScene
CAS Number: 684215-40-5
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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
C₁₀H₉NO
Molecular Weight
159.18
Synonyms
None
SMILES
N#CC1=CC=C(C)C(C(C)=O)=C1
Tpsa
40.86
Logp
2.0693
H Acceptors
2
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 684215-40-5 | Benzonitrile, 3-acetyl-4-methyl- (9CI) | 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: C₁₀H₉NO
Molecular Weight: 159.18
Synonyms: None
SMILES: N#CC1=CC=C(C)C(C(C)=O)=C1
Tpsa: 40.86
Logp: 2.0693
H Acceptors: 2
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:
C₁₀H₉NO
Molecular Weight:
159.18
Synonyms:
None
SMILES:
N#CC1=CC=C(C)C(C(C)=O)=C1
Tpsa:
40.86
Logp:
2.0693
H Acceptors:
2
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: C₁₈H₃₂BNO₄
Molecular Weight: 337.26
Synonyms: None
SMILES: O=C(N1CCC(B2OC(C)(C)C(C)(C)O2)=CC1(C)C)OC(C)(C)C
Tpsa: 48
Logp: 3.9636
H Acceptors: 4
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:
C₁₈H₃₂BNO₄
Molecular Weight:
337.26
Synonyms:
None
SMILES:
O=C(N1CCC(B2OC(C)(C)C(C)(C)O2)=CC1(C)C)OC(C)(C)C
Tpsa:
48
Logp:
3.9636
H Acceptors:
4
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: C₁₄H₁₈ClNO₄
Molecular Weight: 299.75
Synonyms: None
SMILES: O=C(O)[C@@H](CNC(OC(C)(C)C)=O)C1=CC=C(Cl)C=C1
Tpsa: 75.63
Logp: 3.0329
H Acceptors: 3
H Donors: 2
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:
C₁₄H₁₈ClNO₄
Molecular Weight:
299.75
Synonyms:
None
SMILES:
O=C(O)[C@@H](CNC(OC(C)(C)C)=O)C1=CC=C(Cl)C=C1
Tpsa:
75.63
Logp:
3.0329
H Acceptors:
3
H Donors:
2
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: C₁₄H₁₁N₃O₃
Molecular Weight: 269.26
Synonyms: None
SMILES: N#CC1=CC=CC(CN2C(CC3)C(NC3=O)=O)=C1C2=O
Tpsa: 90.27
Logp: 0.31928
H Acceptors: 4
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:
C₁₄H₁₁N₃O₃
Molecular Weight:
269.26
Synonyms:
None
SMILES:
N#CC1=CC=CC(CN2C(CC3)C(NC3=O)=O)=C1C2=O
Tpsa:
90.27
Logp:
0.31928
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1