CS-0768314
(3S)-1-Oxo-3,4-dihydro-2H-isoquinoline-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 99266-00-9
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₉NO₃
Molecular Weight
191.18
Synonyms
None
SMILES
OC(=O)[C@@H]1CC2=CC=CC=C2C(=O)N1
Tpsa
66.4
Logp
0.4257
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
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Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉NO₃
Molecular Weight: 191.18
Synonyms: None
SMILES: OC(=O)[C@@H]1CC2=CC=CC=C2C(=O)N1
Tpsa: 66.4
Logp: 0.4257
H Acceptors: 2
H Donors: 2
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:
C₁₀H₉NO₃
Molecular Weight:
191.18
Synonyms:
None
SMILES:
OC(=O)[C@@H]1CC2=CC=CC=C2C(=O)N1
Tpsa:
66.4
Logp:
0.4257
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: C₈H₆BrN₃OS
Molecular Weight: 272.12
Synonyms: None
SMILES: CC(=O)NC1=NC2=CC(Br)=CN=C2S1
Tpsa: 54.88
Logp: 2.4122
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:
C₈H₆BrN₃OS
Molecular Weight:
272.12
Synonyms:
None
SMILES:
CC(=O)NC1=NC2=CC(Br)=CN=C2S1
Tpsa:
54.88
Logp:
2.4122
H Acceptors:
4
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: C₃HN₃O
Molecular Weight: 95.06
Synonyms: None
SMILES: N#CC1=NON=C1
Tpsa: 62.71
Logp: -0.05872
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 0
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃HN₃O
Molecular Weight:
95.06
Synonyms:
None
SMILES:
N#CC1=NON=C1
Tpsa:
62.71
Logp:
-0.05872
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
0
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈N₂O₂S
Molecular Weight: 184.22
Synonyms: None
SMILES: CCOC(=O)C1=CNC(=S)N=C1
Tpsa: 54.98
Logp: 1.31589
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈N₂O₂S
Molecular Weight:
184.22
Synonyms:
None
SMILES:
CCOC(=O)C1=CNC(=S)N=C1
Tpsa:
54.98
Logp:
1.31589
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2