CS-1078004
1-Isopentyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2873843-41-3
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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
C₉H₁₄N₂O₃
Molecular Weight
198.22
Synonyms
None
SMILES
O=C(O)C1=CN(NC1=O)CCC(C)C
Tpsa
75.09
Logp
0.9207
H Acceptors
3
H Donors
2
Rotatable Bonds
4
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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
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: C₉H₁₄N₂O₃
Molecular Weight: 198.22
Synonyms: None
SMILES: O=C(O)C1=CN(NC1=O)CCC(C)C
Tpsa: 75.09
Logp: 0.9207
H Acceptors: 3
H Donors: 2
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:
C₉H₁₄N₂O₃
Molecular Weight:
198.22
Synonyms:
None
SMILES:
O=C(O)C1=CN(NC1=O)CCC(C)C
Tpsa:
75.09
Logp:
0.9207
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆O
Molecular Weight: 176.25
Synonyms: None
SMILES: C(=C/CO)\C1=C(C)C=C(C)C=C1C
Tpsa: 20.23
Logp: 2.61736
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆O
Molecular Weight:
176.25
Synonyms:
None
SMILES:
C(=C/CO)\C1=C(C)C=C(C)C=C1C
Tpsa:
20.23
Logp:
2.61736
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: C₁₃H₂₃BO₂
Molecular Weight: 222.13
Synonyms: None
SMILES: O1B(OC(C)(C)C1(C)C)C2C=CCCCC2
Tpsa: 18.46
Logp: 3.579
H Acceptors: 2
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:
C₁₃H₂₃BO₂
Molecular Weight:
222.13
Synonyms:
None
SMILES:
O1B(OC(C)(C)C1(C)C)C2C=CCCCC2
Tpsa:
18.46
Logp:
3.579
H Acceptors:
2
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: C₈H₃BrClFN₂OS
Molecular Weight: 309.54
Synonyms: None
SMILES: O=C1NC(=S)NC2=C(F)C(Br)=C(Cl)C=C12
Tpsa: 48.65
Logp: 3.14069
H Acceptors: 2
H Donors: 2
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:
C₈H₃BrClFN₂OS
Molecular Weight:
309.54
Synonyms:
None
SMILES:
O=C1NC(=S)NC2=C(F)C(Br)=C(Cl)C=C12
Tpsa:
48.65
Logp:
3.14069
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0