CS-0867458
β-Cyano-2,3-dihydro-1,4-benzodioxin-6-propanoic acid
Manufacturer: ChemScene
CAS Number: 57724-54-6
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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
C₁₂H₁₁NO₄
Molecular Weight
233.22
Synonyms
None
SMILES
N#CC(CC(O)=O)C1=CC=C2OCCOC2=C1
Tpsa
79.55
Logp
1.53968
H Acceptors
4
H Donors
1
Rotatable Bonds
3
Related Products
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: C₁₂H₁₁NO₄
Molecular Weight: 233.22
Synonyms: None
SMILES: N#CC(CC(O)=O)C1=CC=C2OCCOC2=C1
Tpsa: 79.55
Logp: 1.53968
H Acceptors: 4
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:
C₁₂H₁₁NO₄
Molecular Weight:
233.22
Synonyms:
None
SMILES:
N#CC(CC(O)=O)C1=CC=C2OCCOC2=C1
Tpsa:
79.55
Logp:
1.53968
H Acceptors:
4
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: C₈H₅BrF₂O₂
Molecular Weight: 251.02
Synonyms: None
SMILES: FC1=C(OC(C)=O)C(F)=CC(Br)=C1
Tpsa: 26.3
Logp: 2.6526
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:
C₈H₅BrF₂O₂
Molecular Weight:
251.02
Synonyms:
None
SMILES:
FC1=C(OC(C)=O)C(F)=CC(Br)=C1
Tpsa:
26.3
Logp:
2.6526
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃O₄P
Molecular Weight: 180.14
Synonyms: None
SMILES: O=P(OC)(CC(CC)=O)OC
Tpsa: 52.6
Logp: 1.4514
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃O₄P
Molecular Weight:
180.14
Synonyms:
None
SMILES:
O=P(OC)(CC(CC)=O)OC
Tpsa:
52.6
Logp:
1.4514
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₇BFNO₄S
Molecular Weight: 337.17
Synonyms: None
SMILES: O=S(C1=C2N=CC=CC2=C(B3OC(C)(C)C(C)(C)O3)C=C1)(F)=O
Tpsa: 65.49
Logp: 2.1922
H Acceptors: 5
H Donors: 0
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:
C₁₅H₁₇BFNO₄S
Molecular Weight:
337.17
Synonyms:
None
SMILES:
O=S(C1=C2N=CC=CC2=C(B3OC(C)(C)C(C)(C)O3)C=C1)(F)=O
Tpsa:
65.49
Logp:
2.1922
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2