CS-0534787
(S)-3-Acetyl-5-ethyl-4-hydroxy-1H-pyrrol-2(5H)-one
Manufacturer: ChemScene
CAS Number: 128892-51-3
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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
C₈H₁₁NO₃
Molecular Weight
169.18
Synonyms
2H-Pyrrol-2-one, 3-acetyl-5-ethyl-1,5-dihydro-4-hydroxy-, (S)- (9CI)
SMILES
CC(C1=C([C@@H](NC1=O)CC)O)=O
Tpsa
66.4
Logp
0.2959
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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: C₈H₁₁NO₃
Molecular Weight: 169.18
Synonyms: 2H-Pyrrol-2-one, 3-acetyl-5-ethyl-1,5-dihydro-4-hydroxy-, (S)- (9CI)
SMILES: CC(C1=C([C@@H](NC1=O)CC)O)=O
Tpsa: 66.4
Logp: 0.2959
H Acceptors: 3
H Donors: 2
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:
C₈H₁₁NO₃
Molecular Weight:
169.18
Synonyms:
2H-Pyrrol-2-one, 3-acetyl-5-ethyl-1,5-dihydro-4-hydroxy-, (S)- (9CI)
SMILES:
CC(C1=C([C@@H](NC1=O)CC)O)=O
Tpsa:
66.4
Logp:
0.2959
H Acceptors:
3
H Donors:
2
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: C₈H₉BrFNO
Molecular Weight: 234.07
Synonyms: None
SMILES: NC1=C(F)C=C(Br)C=C1OCC
Tpsa: 35.25
Logp: 2.5691
H Acceptors: 2
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:
C₈H₉BrFNO
Molecular Weight:
234.07
Synonyms:
None
SMILES:
NC1=C(F)C=C(Br)C=C1OCC
Tpsa:
35.25
Logp:
2.5691
H Acceptors:
2
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: C₈H₈Br₂O
Molecular Weight: 279.96
Synonyms: None
SMILES: BrC1=CC=C(CCO)C(Br)=C1
Tpsa: 20.23
Logp: 2.7464
H Acceptors: 1
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:
C₈H₈Br₂O
Molecular Weight:
279.96
Synonyms:
None
SMILES:
BrC1=CC=C(CCO)C(Br)=C1
Tpsa:
20.23
Logp:
2.7464
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD00138600
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁NO₃
Molecular Weight: 169.18
Synonyms: 3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one
SMILES: O=C1NC(C(C)=C1C(C)=O)(C)O
Tpsa: 66.4
Logp: -0.2698
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD00138600
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁NO₃
Molecular Weight:
169.18
Synonyms:
3-Acetyl-4,5-dimethyl-5-hydroxy-1,5-dihydro-2h-pyrrol-2-one
SMILES:
O=C1NC(C(C)=C1C(C)=O)(C)O
Tpsa:
66.4
Logp:
-0.2698
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1