CS-0867436
β-Cyano-1,3-benzodioxole-5-propanoic acid
Manufacturer: ChemScene
CAS Number: 57724-53-5
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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
C₁₁H₉NO₄
Molecular Weight
219.19
Synonyms
None
SMILES
N#CC(CC(O)=O)C1=CC=C2OCOC2=C1
Tpsa
79.55
Logp
1.49718
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: C₁₁H₉NO₄
Molecular Weight: 219.19
Synonyms: None
SMILES: N#CC(CC(O)=O)C1=CC=C2OCOC2=C1
Tpsa: 79.55
Logp: 1.49718
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:
C₁₁H₉NO₄
Molecular Weight:
219.19
Synonyms:
None
SMILES:
N#CC(CC(O)=O)C1=CC=C2OCOC2=C1
Tpsa:
79.55
Logp:
1.49718
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: C₁₁H₁₃ClO
Molecular Weight: 196.67
Synonyms: None
SMILES: O=CC1=CC(Cl)=CC=C1C(C)(C)C
Tpsa: 17.07
Logp: 3.45
H Acceptors: 1
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:
C₁₁H₁₃ClO
Molecular Weight:
196.67
Synonyms:
None
SMILES:
O=CC1=CC(Cl)=CC=C1C(C)(C)C
Tpsa:
17.07
Logp:
3.45
H Acceptors:
1
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: C₁₁H₁₅NO
Molecular Weight: 177.24
Synonyms: None
SMILES: O=CC1=CC(C(C)(C)C)=CC=C1N
Tpsa: 43.09
Logp: 2.3788
H Acceptors: 2
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:
C₁₁H₁₅NO
Molecular Weight:
177.24
Synonyms:
None
SMILES:
O=CC1=CC(C(C)(C)C)=CC=C1N
Tpsa:
43.09
Logp:
2.3788
H Acceptors:
2
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: C₁₁H₁₅NO
Molecular Weight: 177.24
Synonyms: None
SMILES: O=CC1=CC(N)=CC=C1C(C)(C)C
Tpsa: 43.09
Logp: 2.3788
H Acceptors: 2
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:
C₁₁H₁₅NO
Molecular Weight:
177.24
Synonyms:
None
SMILES:
O=CC1=CC(N)=CC=C1C(C)(C)C
Tpsa:
43.09
Logp:
2.3788
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1