CS-0915197
3-Isoxazoleacetic acid, 5-[2-(methylsulfonyl)ethyl]-
Manufacturer: ChemScene
CAS Number: 3012612-71-1
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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
C₈H₁₁NO₅S
Molecular Weight
233.24
Synonyms
None
SMILES
O=C(O)CC1=NOC(CCS(=O)(C)=O)=C1
Tpsa
97.47
Logp
-0.1112
H Acceptors
5
H Donors
1
Rotatable Bonds
5
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: C₈H₁₁NO₅S
Molecular Weight: 233.24
Synonyms: None
SMILES: O=C(O)CC1=NOC(CCS(=O)(C)=O)=C1
Tpsa: 97.47
Logp: -0.1112
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₁NO₅S
Molecular Weight:
233.24
Synonyms:
None
SMILES:
O=C(O)CC1=NOC(CCS(=O)(C)=O)=C1
Tpsa:
97.47
Logp:
-0.1112
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₆N₂O₉
Molecular Weight: 556.60
Synonyms: None
SMILES: C(C(O)=O)(O)=O.C(N(CCCN1C(=O)CC=2C(C=C1)=CC(OC)=C(OC)C2)C)[C@@H]3C=4C(C3)=CC(OC)=C(OC)C4
Tpsa: 135.07
Logp: 2.8938
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 10
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₆N₂O₉
Molecular Weight:
556.60
Synonyms:
None
SMILES:
C(C(O)=O)(O)=O.C(N(CCCN1C(=O)CC=2C(C=C1)=CC(OC)=C(OC)C2)C)[C@@H]3C=4C(C3)=CC(OC)=C(OC)C4
Tpsa:
135.07
Logp:
2.8938
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈Cl₂N₂O₂
Molecular Weight: 247.08
Synonyms: None
SMILES: O=C(N)CNC(=O)C1=CC(Cl)=CC=C1Cl
Tpsa: 72.19
Logp: 1.2085
H Acceptors: 2
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:
C₉H₈Cl₂N₂O₂
Molecular Weight:
247.08
Synonyms:
None
SMILES:
O=C(N)CNC(=O)C1=CC(Cl)=CC=C1Cl
Tpsa:
72.19
Logp:
1.2085
H Acceptors:
2
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: C₁₄H₁₆Cl₂N₂O₂
Molecular Weight: 315.20
Synonyms: None
SMILES: O=C(N=CCC(C)C)CNC(=O)C1=CC(Cl)=CC=C1Cl
Tpsa: 58.53
Logp: 3.3667
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆Cl₂N₂O₂
Molecular Weight:
315.20
Synonyms:
None
SMILES:
O=C(N=CCC(C)C)CNC(=O)C1=CC(Cl)=CC=C1Cl
Tpsa:
58.53
Logp:
3.3667
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5