CS-0642065
Methyl 3-ethynyl-1H-pyrazole-4-carboxylate
Manufacturer: ChemScene
CAS Number: 551943-44-3
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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
C₇H₆N₂O₂
Molecular Weight
150.13
Synonyms
None
SMILES
O=C(C1=CNN=C1C#C)OC
Tpsa
54.98
Logp
0.1776
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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: C₇H₆N₂O₂
Molecular Weight: 150.13
Synonyms: None
SMILES: O=C(C1=CNN=C1C#C)OC
Tpsa: 54.98
Logp: 0.1776
H Acceptors: 3
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:
C₇H₆N₂O₂
Molecular Weight:
150.13
Synonyms:
None
SMILES:
O=C(C1=CNN=C1C#C)OC
Tpsa:
54.98
Logp:
0.1776
H Acceptors:
3
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: C₁₁H₂₀N₂O₂
Molecular Weight: 212.29
Synonyms: None
SMILES: O=C(N1C[C@]2([H])CCNC[C@]12[H])OC(C)(C)C
Tpsa: 41.57
Logp: 1.2152
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:
C₁₁H₂₀N₂O₂
Molecular Weight:
212.29
Synonyms:
None
SMILES:
O=C(N1C[C@]2([H])CCNC[C@]12[H])OC(C)(C)C
Tpsa:
41.57
Logp:
1.2152
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: C₇H₇N₃O₂
Molecular Weight: 165.15
Synonyms: None
SMILES: O=C(C1=CN(CC#N)N=C1)OC
Tpsa: 67.91
Logp: 0.19328
H Acceptors: 5
H Donors: 0
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:
C₇H₇N₃O₂
Molecular Weight:
165.15
Synonyms:
None
SMILES:
O=C(C1=CN(CC#N)N=C1)OC
Tpsa:
67.91
Logp:
0.19328
H Acceptors:
5
H Donors:
0
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: C₁₀H₉NO₄
Molecular Weight: 207.18
Synonyms: None
SMILES: O=C(C1=CC=C(/C=C/C(O)=O)N=C1)OC
Tpsa: 76.49
Logp: 0.966
H Acceptors: 4
H Donors: 1
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:
C₁₀H₉NO₄
Molecular Weight:
207.18
Synonyms:
None
SMILES:
O=C(C1=CC=C(/C=C/C(O)=O)N=C1)OC
Tpsa:
76.49
Logp:
0.966
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3