CS-0897210
6-Cyanobenzo[d][1,3]dioxole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1566250-23-4
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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
C₉H₅NO₄
Molecular Weight
191.14
Synonyms
None
SMILES
O=C(C1=C(C#N)C=C(OCO2)C2=C1)O
Tpsa
79.55
Logp
0.98518
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: C₉H₅NO₄
Molecular Weight: 191.14
Synonyms: None
SMILES: O=C(C1=C(C#N)C=C(OCO2)C2=C1)O
Tpsa: 79.55
Logp: 0.98518
H Acceptors: 4
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:
C₉H₅NO₄
Molecular Weight:
191.14
Synonyms:
None
SMILES:
O=C(C1=C(C#N)C=C(OCO2)C2=C1)O
Tpsa:
79.55
Logp:
0.98518
H Acceptors:
4
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: C₈H₉NO₂
Molecular Weight: 151.16
Synonyms: None
SMILES: NC1=C2OCOC2=CC(C)=C1
Tpsa: 44.48
Logp: 1.30592
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉NO₂
Molecular Weight:
151.16
Synonyms:
None
SMILES:
NC1=C2OCOC2=CC(C)=C1
Tpsa:
44.48
Logp:
1.30592
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₅F₃N₄O₄S
Molecular Weight: 358.25
Synonyms: None
SMILES: O=S(C(F)(F)F)(OC1=C(C#N)C(N(C)C2=CC=C(C#N)N=C12)=O)=O
Tpsa: 125.84
Logp: 0.90526
H Acceptors: 8
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:
C₁₂H₅F₃N₄O₄S
Molecular Weight:
358.25
Synonyms:
None
SMILES:
O=S(C(F)(F)F)(OC1=C(C#N)C(N(C)C2=CC=C(C#N)N=C12)=O)=O
Tpsa:
125.84
Logp:
0.90526
H Acceptors:
8
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: C₁₂H₂₃NO₃
Molecular Weight: 229.32
Synonyms: None
SMILES: O=C(N1[C@H](C)C[C@H](O)[C@H](C)C1)OC(C)(C)C
Tpsa: 49.77
Logp: 2.0127
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₃NO₃
Molecular Weight:
229.32
Synonyms:
None
SMILES:
O=C(N1[C@H](C)C[C@H](O)[C@H](C)C1)OC(C)(C)C
Tpsa:
49.77
Logp:
2.0127
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0