CS-0498580
6-(Benzyloxy)-5-nitronicotinic acid
Manufacturer: ChemScene
CAS Number: 1508309-21-4
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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
C₁₃H₁₀N₂O₅
Molecular Weight
274.23
Synonyms
None
SMILES
O=C(C1=CC([N+]([O-])=O)=C(OCC2=CC=CC=C2)N=C1)O
Tpsa
102.56
Logp
2.267
H Acceptors
5
H Donors
1
Rotatable Bonds
5
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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+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: C₁₃H₁₀N₂O₅
Molecular Weight: 274.23
Synonyms: None
SMILES: O=C(C1=CC([N+]([O-])=O)=C(OCC2=CC=CC=C2)N=C1)O
Tpsa: 102.56
Logp: 2.267
H Acceptors: 5
H Donors: 1
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:
C₁₃H₁₀N₂O₅
Molecular Weight:
274.23
Synonyms:
None
SMILES:
O=C(C1=CC([N+]([O-])=O)=C(OCC2=CC=CC=C2)N=C1)O
Tpsa:
102.56
Logp:
2.267
H Acceptors:
5
H Donors:
1
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: C₁₀H₁₃N₃O₂S
Molecular Weight: 239.29
Synonyms: None
SMILES: O=S(C1=NC=C2C(CNC3(CC3)C2)=N1)(C)=O
Tpsa: 71.95
Logp: 0.0584
H Acceptors: 5
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:
C₁₀H₁₃N₃O₂S
Molecular Weight:
239.29
Synonyms:
None
SMILES:
O=S(C1=NC=C2C(CNC3(CC3)C2)=N1)(C)=O
Tpsa:
71.95
Logp:
0.0584
H Acceptors:
5
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: C₁₂H₂₀N₂O₂
Molecular Weight: 224.30
Synonyms: None
SMILES: CC1=NN(CCCOC2OCCCC2)C=C1
Tpsa: 36.28
Logp: 2.12482
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:
C₁₂H₂₀N₂O₂
Molecular Weight:
224.30
Synonyms:
None
SMILES:
CC1=NN(CCCOC2OCCCC2)C=C1
Tpsa:
36.28
Logp:
2.12482
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD15143655
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅NO₂
Molecular Weight: 159.14
Synonyms: Cyanophthalide
SMILES: N#CC1OC(C2=C1C=CC=C2)=O
Tpsa: 50.09
Logp: 1.42168
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD15143655
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅NO₂
Molecular Weight:
159.14
Synonyms:
Cyanophthalide
SMILES:
N#CC1OC(C2=C1C=CC=C2)=O
Tpsa:
50.09
Logp:
1.42168
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0