CS-1171953
7-Oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1539911-77-7
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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
C₈H₆N₂O₃
Molecular Weight
178.14
Synonyms
None
SMILES
O=C(C1=CC=C2C(C(NC2)=O)=N1)O
Tpsa
79.29
Logp
0.0232
H Acceptors
3
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: C₈H₆N₂O₃
Molecular Weight: 178.14
Synonyms: None
SMILES: O=C(C1=CC=C2C(C(NC2)=O)=N1)O
Tpsa: 79.29
Logp: 0.0232
H Acceptors: 3
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:
C₈H₆N₂O₃
Molecular Weight:
178.14
Synonyms:
None
SMILES:
O=C(C1=CC=C2C(C(NC2)=O)=N1)O
Tpsa:
79.29
Logp:
0.0232
H Acceptors:
3
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: C₆H₁₆Cl₂N₂
Molecular Weight: 187.11
Synonyms: None
SMILES: NCC1(NC)CCC1.[H]Cl.[H]Cl
Tpsa: 38.05
Logp: 0.9308
H Acceptors: 2
H Donors: 2
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:
C₆H₁₆Cl₂N₂
Molecular Weight:
187.11
Synonyms:
None
SMILES:
NCC1(NC)CCC1.[H]Cl.[H]Cl
Tpsa:
38.05
Logp:
0.9308
H Acceptors:
2
H Donors:
2
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: C₁₆H₂₃BO₃
Molecular Weight: 274.16
Synonyms: None
SMILES: OC1=C(B2OC(C)(C)C(C)(C)O2)C(C)=CC3=C1CCC3
Tpsa: 38.69
Logp: 2.48852
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:
C₁₆H₂₃BO₃
Molecular Weight:
274.16
Synonyms:
None
SMILES:
OC1=C(B2OC(C)(C)C(C)(C)O2)C(C)=CC3=C1CCC3
Tpsa:
38.69
Logp:
2.48852
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: C₆H₁₁ClF₃NO
Molecular Weight: 205.61
Synonyms: None
SMILES: FC(F)(F)OC[C@@H]1NCCC1.[H]Cl
Tpsa: 21.26
Logp: 1.6966
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₁ClF₃NO
Molecular Weight:
205.61
Synonyms:
None
SMILES:
FC(F)(F)OC[C@@H]1NCCC1.[H]Cl
Tpsa:
21.26
Logp:
1.6966
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2