CS-0530316
4-(4-Nitrophenyl)but-3-yn-2-ol
Manufacturer: ChemScene
CAS Number: 111887-20-8
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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
C₁₀H₉NO₃
Molecular Weight
191.18
Synonyms
4-(4-Nitro-phenyl)-but-3-yn-2-ol
SMILES
CC(O)C#CC1=CC=C([N+]([O-])=O)C=C1
Tpsa
63.37
Logp
1.3271
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: 4-(4-Nitro-phenyl)-but-3-yn-2-ol
SMILES: CC(O)C#CC1=CC=C([N+]([O-])=O)C=C1
Tpsa: 63.37
Logp: 1.3271
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
4-(4-Nitro-phenyl)-but-3-yn-2-ol
SMILES:
CC(O)C#CC1=CC=C([N+]([O-])=O)C=C1
Tpsa:
63.37
Logp:
1.3271
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₂N₂O₂S
Molecular Weight: 212.27
Synonyms: None
SMILES: O=S(C1CC1)(NC2=CC=CC=C2N)=O
Tpsa: 72.19
Logp: 1.1729
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂N₂O₂S
Molecular Weight:
212.27
Synonyms:
None
SMILES:
O=S(C1CC1)(NC2=CC=CC=C2N)=O
Tpsa:
72.19
Logp:
1.1729
H Acceptors:
3
H Donors:
2
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: C₉H₁₁N₂OP
Molecular Weight: 194.17
Synonyms: None
SMILES: N#CC1=CC=C(N)C(P(C)(C)=O)=C1
Tpsa: 66.88
Logp: 1.38848
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:
C₉H₁₁N₂OP
Molecular Weight:
194.17
Synonyms:
None
SMILES:
N#CC1=CC=C(N)C(P(C)(C)=O)=C1
Tpsa:
66.88
Logp:
1.38848
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: C₁₁H₁₂O₂
Molecular Weight: 176.21
Synonyms: None
SMILES: CC(O)C#CC1=CC=CC=C1OC
Tpsa: 29.46
Logp: 1.4275
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:
C₁₁H₁₂O₂
Molecular Weight:
176.21
Synonyms:
None
SMILES:
CC(O)C#CC1=CC=CC=C1OC
Tpsa:
29.46
Logp:
1.4275
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1