CS-0530798
4-(3-Oxobut-1-yn-1-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 951234-87-0
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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
C₁₁H₇NO
Molecular Weight
169.18
Synonyms
None
SMILES
N#CC1=CC=C(C#CC(C)=O)C=C1
Tpsa
40.86
Logp
1.49878
H Acceptors
2
H Donors
0
Rotatable Bonds
0
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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: C₁₁H₇NO
Molecular Weight: 169.18
Synonyms: None
SMILES: N#CC1=CC=C(C#CC(C)=O)C=C1
Tpsa: 40.86
Logp: 1.49878
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₇NO
Molecular Weight:
169.18
Synonyms:
None
SMILES:
N#CC1=CC=C(C#CC(C)=O)C=C1
Tpsa:
40.86
Logp:
1.49878
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆OS
Molecular Weight: 150.20
Synonyms: None
SMILES: CC(C#CC1=CC=CS1)=O
Tpsa: 17.07
Logp: 1.6886
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆OS
Molecular Weight:
150.20
Synonyms:
None
SMILES:
CC(C#CC1=CC=CS1)=O
Tpsa:
17.07
Logp:
1.6886
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂O
Molecular Weight: 172.22
Synonyms: None
SMILES: CC(C#CC1=CC(C)=CC(C)=C1)=O
Tpsa: 17.07
Logp: 2.24394
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂O
Molecular Weight:
172.22
Synonyms:
None
SMILES:
CC(C#CC1=CC(C)=CC(C)=C1)=O
Tpsa:
17.07
Logp:
2.24394
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂O₃
Molecular Weight: 204.22
Synonyms: None
SMILES: CC(C#CC1=CC(OC)=CC(OC)=C1)=O
Tpsa: 35.53
Logp: 1.6443
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:
C₁₂H₁₂O₃
Molecular Weight:
204.22
Synonyms:
None
SMILES:
CC(C#CC1=CC(OC)=CC(OC)=C1)=O
Tpsa:
35.53
Logp:
1.6443
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2