CS-1169281
2-(Prop-2-yn-1-yl)isoquinolin-1(2H)-one
Manufacturer: ChemScene
CAS Number: 125030-80-0
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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
C₁₂H₉NO
Molecular Weight
183.21
Synonyms
None
SMILES
O=C1C=2C=CC=CC2C=CN1CC#C
Tpsa
22
Logp
1.6347
H Acceptors
2
H Donors
0
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: C₁₂H₉NO
Molecular Weight: 183.21
Synonyms: None
SMILES: O=C1C=2C=CC=CC2C=CN1CC#C
Tpsa: 22
Logp: 1.6347
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:
C₁₂H₉NO
Molecular Weight:
183.21
Synonyms:
None
SMILES:
O=C1C=2C=CC=CC2C=CN1CC#C
Tpsa:
22
Logp:
1.6347
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₂O₂
Molecular Weight: 190.20
Synonyms: None
SMILES: O=C1NN(C(=O)CC)C=2C=CC=CC12
Tpsa: 54.86
Logp: 1.3798
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₂O₂
Molecular Weight:
190.20
Synonyms:
None
SMILES:
O=C1NN(C(=O)CC)C=2C=CC=CC12
Tpsa:
54.86
Logp:
1.3798
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₇NO₅
Molecular Weight: 231.25
Synonyms: None
SMILES: [C@@H](CC(OCC)=O)(C(OCC)=O)NC(C)=O
Tpsa: 81.7
Logp: 0.0074
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₇NO₅
Molecular Weight:
231.25
Synonyms:
None
SMILES:
[C@@H](CC(OCC)=O)(C(OCC)=O)NC(C)=O
Tpsa:
81.7
Logp:
0.0074
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄N₂O₃
Molecular Weight: 176.13
Synonyms: None
SMILES: N#CC=1C=C(C=O)C=C(C1)N(=O)=O
Tpsa: 84
Logp: 1.27898
H Acceptors: 4
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:
C₈H₄N₂O₃
Molecular Weight:
176.13
Synonyms:
None
SMILES:
N#CC=1C=C(C=O)C=C(C1)N(=O)=O
Tpsa:
84
Logp:
1.27898
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2