CS-0598105
3-(4-(Methylsulfonyl)-6-oxocyclohexa-1,3-dien-1-yl)propanoic acid
Manufacturer: ChemScene
CAS Number: 539814-13-6
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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
C₁₀H₁₂O₅S
Molecular Weight
244.26
Synonyms
None
SMILES
O=C(O)CCC1=CC=C(S(=O)(C)=O)CC1=O
Tpsa
88.51
Logp
0.6789
H Acceptors
4
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 539814-13-6 | 3-(4-METHANESULFONYLOXOPHENYL)-PROPANOIC ACID | A2B Chem | -- |
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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: C₁₀H₁₂O₅S
Molecular Weight: 244.26
Synonyms: None
SMILES: O=C(O)CCC1=CC=C(S(=O)(C)=O)CC1=O
Tpsa: 88.51
Logp: 0.6789
H Acceptors: 4
H Donors: 1
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:
C₁₀H₁₂O₅S
Molecular Weight:
244.26
Synonyms:
None
SMILES:
O=C(O)CCC1=CC=C(S(=O)(C)=O)CC1=O
Tpsa:
88.51
Logp:
0.6789
H Acceptors:
4
H Donors:
1
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: C₁₀H₁₃N₃O₂
Molecular Weight: 207.23
Synonyms: None
SMILES: C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])N
Tpsa: 72.4
Logp: 1.7772
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:
C₁₀H₁₃N₃O₂
Molecular Weight:
207.23
Synonyms:
None
SMILES:
C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])N
Tpsa:
72.4
Logp:
1.7772
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD01711060
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉NO
Molecular Weight: 205.30
Synonyms: None
SMILES: CCCCCCCC(=O)C1=CC=NC=C1
Tpsa: 29.96
Logp: 3.6248
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
MFCD01711060
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉NO
Molecular Weight:
205.30
Synonyms:
None
SMILES:
CCCCCCCC(=O)C1=CC=NC=C1
Tpsa:
29.96
Logp:
3.6248
H Acceptors:
2
H Donors:
0
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: C₁₃H₁₀ClNO
Molecular Weight: 231.68
Synonyms: None
SMILES: C1=CC=C(C(=C1)CC(=O)C2=CN=CC=C2)Cl
Tpsa: 29.96
Logp: 3.1604
H Acceptors: 2
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:
C₁₃H₁₀ClNO
Molecular Weight:
231.68
Synonyms:
None
SMILES:
C1=CC=C(C(=C1)CC(=O)C2=CN=CC=C2)Cl
Tpsa:
29.96
Logp:
3.1604
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3