CS-0886956
2-(3-Oxobutanoyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 861531-76-2
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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
C₁₁H₉NO₂
Molecular Weight
187.19
Synonyms
None
SMILES
N#CC1=CC=CC=C1C(CC(C)=O)=O
Tpsa
57.93
Logp
1.72008
H Acceptors
3
H Donors
0
Rotatable Bonds
3
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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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: C₁₁H₉NO₂
Molecular Weight: 187.19
Synonyms: None
SMILES: N#CC1=CC=CC=C1C(CC(C)=O)=O
Tpsa: 57.93
Logp: 1.72008
H Acceptors: 3
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:
C₁₁H₉NO₂
Molecular Weight:
187.19
Synonyms:
None
SMILES:
N#CC1=CC=CC=C1C(CC(C)=O)=O
Tpsa:
57.93
Logp:
1.72008
H Acceptors:
3
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: C₈H₁₁ClN₂O
Molecular Weight: 186.64
Synonyms: None
SMILES: NC1=CC(Cl)=C([C@H](OC)C)N=C1
Tpsa: 48.14
Logp: 2.0246
H Acceptors: 3
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:
C₈H₁₁ClN₂O
Molecular Weight:
186.64
Synonyms:
None
SMILES:
NC1=CC(Cl)=C([C@H](OC)C)N=C1
Tpsa:
48.14
Logp:
2.0246
H Acceptors:
3
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: C₁₁H₁₁NO
Molecular Weight: 173.21
Synonyms: None
SMILES: N#CC1=CC=C(CCC(C)=O)C=C1
Tpsa: 40.86
Logp: 2.07988
H Acceptors: 2
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:
C₁₁H₁₁NO
Molecular Weight:
173.21
Synonyms:
None
SMILES:
N#CC1=CC=C(CCC(C)=O)C=C1
Tpsa:
40.86
Logp:
2.07988
H Acceptors:
2
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: C₉H₇FN₂O
Molecular Weight: 178.16
Synonyms: None
SMILES: CC(NC1=CC(F)=CC=C1C#N)=O
Tpsa: 52.89
Logp: 1.65578
H Acceptors: 2
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:
C₉H₇FN₂O
Molecular Weight:
178.16
Synonyms:
None
SMILES:
CC(NC1=CC(F)=CC=C1C#N)=O
Tpsa:
52.89
Logp:
1.65578
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1