CS-0802983
3-(3,5-Dimethyl-1H-pyrazol-4-yl)propiolic acid
Manufacturer: ChemScene
CAS Number: 1351382-56-3
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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
C₈H₈N₂O₂
Molecular Weight
164.16
Synonyms
None
SMILES
OC(=O)C#CC1C(C)=NNC=1C
Tpsa
65.98
Logp
0.46264
H Acceptors
2
H Donors
2
Rotatable Bonds
0
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: C₈H₈N₂O₂
Molecular Weight: 164.16
Synonyms: None
SMILES: OC(=O)C#CC1C(C)=NNC=1C
Tpsa: 65.98
Logp: 0.46264
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:
C₈H₈N₂O₂
Molecular Weight:
164.16
Synonyms:
None
SMILES:
OC(=O)C#CC1C(C)=NNC=1C
Tpsa:
65.98
Logp:
0.46264
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: C₁₁H₉FO₃
Molecular Weight: 208.19
Synonyms: None
SMILES: FC1=C(C=CC=C1)C2(C(O)=O)CC(=O)C2
Tpsa: 54.37
Logp: 1.511
H Acceptors: 2
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:
C₁₁H₉FO₃
Molecular Weight:
208.19
Synonyms:
None
SMILES:
FC1=C(C=CC=C1)C2(C(O)=O)CC(=O)C2
Tpsa:
54.37
Logp:
1.511
H Acceptors:
2
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: C₇H₈O₄S
Molecular Weight: 188.20
Synonyms: None
SMILES: OC(=O)C#CC1CS(=O)(=O)CC1
Tpsa: 71.44
Logp: -0.4909
H Acceptors: 3
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:
C₇H₈O₄S
Molecular Weight:
188.20
Synonyms:
None
SMILES:
OC(=O)C#CC1CS(=O)(=O)CC1
Tpsa:
71.44
Logp:
-0.4909
H Acceptors:
3
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: C₁₁H₁₃Cl₂N
Molecular Weight: 230.13
Synonyms: None
SMILES: ClC1=C(Cl)C=C(C=C1)[C@@H]2CNCCC2
Tpsa: 12.03
Logp: 3.4604
H Acceptors: 1
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:
C₁₁H₁₃Cl₂N
Molecular Weight:
230.13
Synonyms:
None
SMILES:
ClC1=C(Cl)C=C(C=C1)[C@@H]2CNCCC2
Tpsa:
12.03
Logp:
3.4604
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1