CS-1172566
6-(Methoxycarbonyl)isoquinoline-7-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2113523-41-2
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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
C₁₂H₉NO₄
Molecular Weight
231.20
Synonyms
None
SMILES
O=C(C1=CC2=C(C=NC=C2)C=C1C(O)=O)OC
Tpsa
76.49
Logp
1.7196
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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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: C₁₂H₉NO₄
Molecular Weight: 231.20
Synonyms: None
SMILES: O=C(C1=CC2=C(C=NC=C2)C=C1C(O)=O)OC
Tpsa: 76.49
Logp: 1.7196
H Acceptors: 4
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:
C₁₂H₉NO₄
Molecular Weight:
231.20
Synonyms:
None
SMILES:
O=C(C1=CC2=C(C=NC=C2)C=C1C(O)=O)OC
Tpsa:
76.49
Logp:
1.7196
H Acceptors:
4
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: C₁₄H₂₆N₂O₄
Molecular Weight: 286.37
Synonyms: None
SMILES: O=C(N1CC(C2(O)CCNCC2)OCC1)OC(C)(C)C
Tpsa: 71.03
Logp: 0.7368
H Acceptors: 5
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:
C₁₄H₂₆N₂O₄
Molecular Weight:
286.37
Synonyms:
None
SMILES:
O=C(N1CC(C2(O)CCNCC2)OCC1)OC(C)(C)C
Tpsa:
71.03
Logp:
0.7368
H Acceptors:
5
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: C₁₆H₁₉N₃O₂
Molecular Weight: 285.34
Synonyms: None
SMILES: N#CCC1=CNC2=C1C=C(CNC(OC(C)(C)C)=O)C=C2
Tpsa: 77.91
Logp: 3.25868
H Acceptors: 3
H Donors: 2
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:
C₁₆H₁₉N₃O₂
Molecular Weight:
285.34
Synonyms:
None
SMILES:
N#CCC1=CNC2=C1C=C(CNC(OC(C)(C)C)=O)C=C2
Tpsa:
77.91
Logp:
3.25868
H Acceptors:
3
H Donors:
2
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: C₁₃H₁₆F₂O₂
Molecular Weight: 242.26
Synonyms: None
SMILES: O[C@H]1[C@@H](OCC2=CC=CC=C2)CC(F)(F)CC1
Tpsa: 29.46
Logp: 2.7519
H Acceptors: 2
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:
C₁₃H₁₆F₂O₂
Molecular Weight:
242.26
Synonyms:
None
SMILES:
O[C@H]1[C@@H](OCC2=CC=CC=C2)CC(F)(F)CC1
Tpsa:
29.46
Logp:
2.7519
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3