CS-0748978
1-Cyano-6-oxaspiro[2.5]octane-1-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2173996-86-4
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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
C₉H₁₁NO₃
Molecular Weight
181.19
Synonyms
None
SMILES
OC(=O)C1(CC11CCOCC1)C#N
Tpsa
70.32
Logp
0.78148
H Acceptors
3
H Donors
1
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-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: C₉H₁₁NO₃
Molecular Weight: 181.19
Synonyms: None
SMILES: OC(=O)C1(CC11CCOCC1)C#N
Tpsa: 70.32
Logp: 0.78148
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:
C₉H₁₁NO₃
Molecular Weight:
181.19
Synonyms:
None
SMILES:
OC(=O)C1(CC11CCOCC1)C#N
Tpsa:
70.32
Logp:
0.78148
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: C₉H₉BrFNO
Molecular Weight: 246.08
Synonyms: None
SMILES: FC1=CC=C(Br)C2=C1CNCCO2
Tpsa: 21.26
Logp: 2.0702
H Acceptors: 2
H Donors: 1
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:
C₉H₉BrFNO
Molecular Weight:
246.08
Synonyms:
None
SMILES:
FC1=CC=C(Br)C2=C1CNCCO2
Tpsa:
21.26
Logp:
2.0702
H Acceptors:
2
H Donors:
1
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: C₁₂H₂₁NO₄
Molecular Weight: 243.30
Synonyms: None
SMILES: C[C@H]1C[C@@H](CN(C1)C(=O)OC(C)(C)C)C(O)=O
Tpsa: 66.84
Logp: 1.9641
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:
C₁₂H₂₁NO₄
Molecular Weight:
243.30
Synonyms:
None
SMILES:
C[C@H]1C[C@@H](CN(C1)C(=O)OC(C)(C)C)C(O)=O
Tpsa:
66.84
Logp:
1.9641
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: C₉H₁₄F₂KNO₄
Molecular Weight: 277.31
Synonyms: None
SMILES: [K+].CC(C)(C)OC(=O)NCCC(F)(F)C([O-])=O
Tpsa: 78.46
Logp: -2.7096
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄F₂KNO₄
Molecular Weight:
277.31
Synonyms:
None
SMILES:
[K+].CC(C)(C)OC(=O)NCCC(F)(F)C([O-])=O
Tpsa:
78.46
Logp:
-2.7096
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4