CS-0654299
3-Methyl-4-(methylsulfonyl)-1H-pyrrole-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2730025-90-6
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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
C₇H₉NO₄S
Molecular Weight
203.22
Synonyms
None
SMILES
O=C(C1=C(C)C(S(=O)(C)=O)=CN1)O
Tpsa
87.23
Logp
0.42482
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
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: C₇H₉NO₄S
Molecular Weight: 203.22
Synonyms: None
SMILES: O=C(C1=C(C)C(S(=O)(C)=O)=CN1)O
Tpsa: 87.23
Logp: 0.42482
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:
C₇H₉NO₄S
Molecular Weight:
203.22
Synonyms:
None
SMILES:
O=C(C1=C(C)C(S(=O)(C)=O)=CN1)O
Tpsa:
87.23
Logp:
0.42482
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: C₉H₅F₅
Molecular Weight: 208.13
Synonyms: None
SMILES: FC(C1=C(F)C=C(F)C=C1C=C)(F)F
Tpsa: 0
Logp: 3.6266
H Acceptors: 0
H Donors: 0
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:
C₉H₅F₅
Molecular Weight:
208.13
Synonyms:
None
SMILES:
FC(C1=C(F)C=C(F)C=C1C=C)(F)F
Tpsa:
0
Logp:
3.6266
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD00798155
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₉N
Molecular Weight: 83.13
Synonyms: None
SMILES: NC1CC=CC1
Tpsa: 26.02
Logp: 0.6637
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD00798155
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₉N
Molecular Weight:
83.13
Synonyms:
None
SMILES:
NC1CC=CC1
Tpsa:
26.02
Logp:
0.6637
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₂BF₃O₄
Molecular Weight: 346.15
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=C(C)C=C(C(F)(F)F)C=C2OCOC)O1
Tpsa: 36.92
Logp: 3.29572
H Acceptors: 4
H Donors: 0
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:
C₁₆H₂₂BF₃O₄
Molecular Weight:
346.15
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=C(C)C=C(C(F)(F)F)C=C2OCOC)O1
Tpsa:
36.92
Logp:
3.29572
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4