CS-1141068
(3aR,6R,6aR)-3-oxohexahydro-2H-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1037238-06-4
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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
C₆H₈N₂O₄
Molecular Weight
172.14
Synonyms
None
SMILES
C(O)(=O)[C@H]1[C@]2([C@](C(=O)NO2)(CN1)[H])[H]
Tpsa
87.66
Logp
-1.911
H Acceptors
4
H Donors
3
Rotatable Bonds
1
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: C₆H₈N₂O₄
Molecular Weight: 172.14
Synonyms: None
SMILES: C(O)(=O)[C@H]1[C@]2([C@](C(=O)NO2)(CN1)[H])[H]
Tpsa: 87.66
Logp: -1.911
H Acceptors: 4
H Donors: 3
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:
C₆H₈N₂O₄
Molecular Weight:
172.14
Synonyms:
None
SMILES:
C(O)(=O)[C@H]1[C@]2([C@](C(=O)NO2)(CN1)[H])[H]
Tpsa:
87.66
Logp:
-1.911
H Acceptors:
4
H Donors:
3
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: C₉H₆N₄
Molecular Weight: 170.18
Synonyms: None
SMILES: N#CC=1C=CC(=CC1)C2=NN=CN2
Tpsa: 65.36
Logp: 1.34338
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:
C₉H₆N₄
Molecular Weight:
170.18
Synonyms:
None
SMILES:
N#CC=1C=CC(=CC1)C2=NN=CN2
Tpsa:
65.36
Logp:
1.34338
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: C₁₀H₇FN₂
Molecular Weight: 174.18
Synonyms: None
SMILES: FC1=NC=NC(=C1)C=2C=CC=CC2
Tpsa: 25.78
Logp: 2.2827
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:
C₁₀H₇FN₂
Molecular Weight:
174.18
Synonyms:
None
SMILES:
FC1=NC=NC(=C1)C=2C=CC=CC2
Tpsa:
25.78
Logp:
2.2827
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: C₈H₅ClN₂O₂
Molecular Weight: 196.59
Synonyms: None
SMILES: N#CC1=NC(Cl)=CC=C1C(=O)OC
Tpsa: 62.98
Logp: 1.39328
H Acceptors: 4
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:
C₈H₅ClN₂O₂
Molecular Weight:
196.59
Synonyms:
None
SMILES:
N#CC1=NC(Cl)=CC=C1C(=O)OC
Tpsa:
62.98
Logp:
1.39328
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1