CS-0910577
1-(5-(2-Hydroxypropan-2-yl)isoxazol-3-yl)ethan-1-one
Manufacturer: ChemScene
CAS Number: 1631147-83-5
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₁₁NO₃
Molecular Weight
169.18
Synonyms
None
SMILES
CC(C1=NOC(C(C)(O)C)=C1)=O
Tpsa
63.33
Logp
1.1046
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁NO₃
Molecular Weight: 169.18
Synonyms: None
SMILES: CC(C1=NOC(C(C)(O)C)=C1)=O
Tpsa: 63.33
Logp: 1.1046
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁NO₃
Molecular Weight:
169.18
Synonyms:
None
SMILES:
CC(C1=NOC(C(C)(O)C)=C1)=O
Tpsa:
63.33
Logp:
1.1046
H Acceptors:
4
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: C₉H₆BrF₃O₃
Molecular Weight: 299.04
Synonyms: None
SMILES: O=C(OC)C1=CC(F)=C(OC(F)F)C(Br)=C1
Tpsa: 35.53
Logp: 2.9762
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:
C₉H₆BrF₃O₃
Molecular Weight:
299.04
Synonyms:
None
SMILES:
O=C(OC)C1=CC(F)=C(OC(F)F)C(Br)=C1
Tpsa:
35.53
Logp:
2.9762
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: C₉H₁₁NO₄S
Molecular Weight: 229.25
Synonyms: None
SMILES: N[C@@H](CS(=O)(C1=CC=CC=C1)=O)C(O)=O
Tpsa: 97.46
Logp: -0.1278
H Acceptors: 4
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:
C₉H₁₁NO₄S
Molecular Weight:
229.25
Synonyms:
None
SMILES:
N[C@@H](CS(=O)(C1=CC=CC=C1)=O)C(O)=O
Tpsa:
97.46
Logp:
-0.1278
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉BF₃KO₂
Molecular Weight: 256.07
Synonyms: None
SMILES: O=C(C1=CC=C(C=C1)C[B-](F)(F)F)OC.[K+]
Tpsa: 26.3
Logp: -0.5937
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉BF₃KO₂
Molecular Weight:
256.07
Synonyms:
None
SMILES:
O=C(C1=CC=C(C=C1)C[B-](F)(F)F)OC.[K+]
Tpsa:
26.3
Logp:
-0.5937
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3