CS-0562063
6-(Difluoromethyl)-4-oxo-4H-pyran-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1083402-18-9
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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
C₇H₄F₂O₄
Molecular Weight
190.10
Synonyms
None
SMILES
O=C1C=C(OC(=C1)C(F)F)C(=O)O
Tpsa
67.51
Logp
1.2756
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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: C₇H₄F₂O₄
Molecular Weight: 190.10
Synonyms: None
SMILES: O=C1C=C(OC(=C1)C(F)F)C(=O)O
Tpsa: 67.51
Logp: 1.2756
H Acceptors: 3
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:
C₇H₄F₂O₄
Molecular Weight:
190.10
Synonyms:
None
SMILES:
O=C1C=C(OC(=C1)C(F)F)C(=O)O
Tpsa:
67.51
Logp:
1.2756
H Acceptors:
3
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: C₇H₈N₂O₃
Molecular Weight: 168.15
Synonyms: 2-[6-oxopyridazin-1(6H)-yl]propanoic acid
SMILES: CC(C(=O)O)N1C(=O)C=CC=N1
Tpsa: 72.19
Logp: -0.1111
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:
C₇H₈N₂O₃
Molecular Weight:
168.15
Synonyms:
2-[6-oxopyridazin-1(6H)-yl]propanoic acid
SMILES:
CC(C(=O)O)N1C(=O)C=CC=N1
Tpsa:
72.19
Logp:
-0.1111
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: C₁₀H₁₅N₃O₃
Molecular Weight: 225.24
Synonyms: 5-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-3-oxo-pentanoic acid methyl ester
SMILES: CC1=NN(C(=N1)C)CCC(=O)CC(=O)OC
Tpsa: 74.08
Logp: 0.41724
H Acceptors: 6
H Donors: 0
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:
C₁₀H₁₅N₃O₃
Molecular Weight:
225.24
Synonyms:
5-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-3-oxo-pentanoic acid methyl ester
SMILES:
CC1=NN(C(=N1)C)CCC(=O)CC(=O)OC
Tpsa:
74.08
Logp:
0.41724
H Acceptors:
6
H Donors:
0
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: C₁₂H₉FN₄
Molecular Weight: 228.23
Synonyms: None
SMILES: C1=CC=C(C(=C1)C2=NN=C3N2C=C(C=C3)N)F
Tpsa: 56.21
Logp: 2.1176
H Acceptors: 4
H Donors: 1
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:
C₁₂H₉FN₄
Molecular Weight:
228.23
Synonyms:
None
SMILES:
C1=CC=C(C(=C1)C2=NN=C3N2C=C(C=C3)N)F
Tpsa:
56.21
Logp:
2.1176
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1