CS-0311569
3-(4-Methoxyphenyl)-2,2-dimethyl-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 118362-74-6
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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
C₁₂H₁₃NO₂
Molecular Weight
203.24
Synonyms
None
SMILES
N#CC(C)(C)C(C1=CC=C(C=C1)OC)=O
Tpsa
50.09
Logp
2.42768
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
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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: C₁₂H₁₃NO₂
Molecular Weight: 203.24
Synonyms: None
SMILES: N#CC(C)(C)C(C1=CC=C(C=C1)OC)=O
Tpsa: 50.09
Logp: 2.42768
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:
C₁₂H₁₃NO₂
Molecular Weight:
203.24
Synonyms:
None
SMILES:
N#CC(C)(C)C(C1=CC=C(C=C1)OC)=O
Tpsa:
50.09
Logp:
2.42768
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O
Molecular Weight: 160.17
Synonyms: Benzenamine,2-(5-isoxazolyl)-(9CI)
SMILES: NC1=CC=CC=C1C2=CC=NO2
Tpsa: 52.05
Logp: 1.9238
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O
Molecular Weight:
160.17
Synonyms:
Benzenamine,2-(5-isoxazolyl)-(9CI)
SMILES:
NC1=CC=CC=C1C2=CC=NO2
Tpsa:
52.05
Logp:
1.9238
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₀Cl₃N₇O₃
Molecular Weight: 476.74
Synonyms: None
SMILES: O=C(NC1=C(C(OC)C)N2C(N=C1)=CC(Cl)=N2)NC3=CC(Cl)=CN=C3OCCN.[H]Cl
Tpsa: 128.69
Logp: 3.5418
H Acceptors: 8
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₀Cl₃N₇O₃
Molecular Weight:
476.74
Synonyms:
None
SMILES:
O=C(NC1=C(C(OC)C)N2C(N=C1)=CC(Cl)=N2)NC3=CC(Cl)=CN=C3OCCN.[H]Cl
Tpsa:
128.69
Logp:
3.5418
H Acceptors:
8
H Donors:
3
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄FNO₂
Molecular Weight: 211.23
Synonyms: None
SMILES: O=C(OC(C)(C)C)C1=CC=CC(N)=C1F
Tpsa: 52.32
Logp: 2.3632
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:
C₁₁H₁₄FNO₂
Molecular Weight:
211.23
Synonyms:
None
SMILES:
O=C(OC(C)(C)C)C1=CC=CC(N)=C1F
Tpsa:
52.32
Logp:
2.3632
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1