CS-0611458
5-Ethynyl-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 800401-56-3
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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
C₁₀H₆N₂O₂
Molecular Weight
186.17
Synonyms
None
SMILES
O=C(C(N1)=CC2=C1C=NC(C#C)=C2)O
Tpsa
65.98
Logp
1.2424
H Acceptors
2
H Donors
2
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
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: C₁₀H₆N₂O₂
Molecular Weight: 186.17
Synonyms: None
SMILES: O=C(C(N1)=CC2=C1C=NC(C#C)=C2)O
Tpsa: 65.98
Logp: 1.2424
H Acceptors: 2
H Donors: 2
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:
C₁₀H₆N₂O₂
Molecular Weight:
186.17
Synonyms:
None
SMILES:
O=C(C(N1)=CC2=C1C=NC(C#C)=C2)O
Tpsa:
65.98
Logp:
1.2424
H Acceptors:
2
H Donors:
2
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: C₁₁H₈O₂
Molecular Weight: 172.18
Synonyms: None
SMILES: O=C(O)/C=C/C1=CC=CC=C1C#C
Tpsa: 37.3
Logp: 1.7657
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:
C₁₁H₈O₂
Molecular Weight:
172.18
Synonyms:
None
SMILES:
O=C(O)/C=C/C1=CC=CC=C1C#C
Tpsa:
37.3
Logp:
1.7657
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: C₁₀H₁₂N₂O₂S
Molecular Weight: 224.28
Synonyms: Carbamic acid,(4-ethynyl-2-thiazolyl)-,1,1-dimethylethyl ester (9CI)
SMILES: O=C(OC(C)(C)C)NC1=NC(C#C)=CS1
Tpsa: 51.22
Logp: 2.4714
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:
C₁₀H₁₂N₂O₂S
Molecular Weight:
224.28
Synonyms:
Carbamic acid,(4-ethynyl-2-thiazolyl)-,1,1-dimethylethyl ester (9CI)
SMILES:
O=C(OC(C)(C)C)NC1=NC(C#C)=CS1
Tpsa:
51.22
Logp:
2.4714
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: C₇H₅NO₃
Molecular Weight: 151.12
Synonyms: 4-Oxazolecarboxylic acid, 2-ethynyl-, methyl ester
SMILES: O=C(C1=COC(C#C)=N1)OC
Tpsa: 52.33
Logp: 0.4425
H Acceptors: 4
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:
C₇H₅NO₃
Molecular Weight:
151.12
Synonyms:
4-Oxazolecarboxylic acid, 2-ethynyl-, methyl ester
SMILES:
O=C(C1=COC(C#C)=N1)OC
Tpsa:
52.33
Logp:
0.4425
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1