CS-0759619
(E)-4-Oxo-4-(pyridin-3-yl)but-2-enoic acid
Manufacturer: ChemScene
CAS Number: 109151-40-8
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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
C₉H₇NO₃
Molecular Weight
177.16
Synonyms
None
SMILES
O=C(O)/C=C/C(C1=CC=CN=C1)=O
Tpsa
67.26
Logp
0.9051
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: C₉H₇NO₃
Molecular Weight: 177.16
Synonyms: None
SMILES: O=C(O)/C=C/C(C1=CC=CN=C1)=O
Tpsa: 67.26
Logp: 0.9051
H Acceptors: 3
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:
C₉H₇NO₃
Molecular Weight:
177.16
Synonyms:
None
SMILES:
O=C(O)/C=C/C(C1=CC=CN=C1)=O
Tpsa:
67.26
Logp:
0.9051
H Acceptors:
3
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: C₁₁H₁₁NO₅S
Molecular Weight: 269.27
Synonyms: None
SMILES: O=C(O)/C=C/C(C1=CC=C(NS(=O)(C)=O)C=C1)=O
Tpsa: 100.54
Logp: 0.8816
H Acceptors: 4
H Donors: 2
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:
C₁₁H₁₁NO₅S
Molecular Weight:
269.27
Synonyms:
None
SMILES:
O=C(O)/C=C/C(C1=CC=C(NS(=O)(C)=O)C=C1)=O
Tpsa:
100.54
Logp:
0.8816
H Acceptors:
4
H Donors:
2
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: C₃Br₂F₂N₂O
Molecular Weight: 277.85
Synonyms: None
SMILES: FC(C1=NC(Br)=NO1)(Br)F
Tpsa: 38.92
Logp: 2.2763
H Acceptors: 3
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:
C₃Br₂F₂N₂O
Molecular Weight:
277.85
Synonyms:
None
SMILES:
FC(C1=NC(Br)=NO1)(Br)F
Tpsa:
38.92
Logp:
2.2763
H Acceptors:
3
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: C₁₉H₂₆BN₃O₃
Molecular Weight: 355.24
Synonyms: None
SMILES: CC(C)(C)C(NC1=NC=C2C=C(B3OC(C)(C)C(C)(C)O3)C=CC2=N1)=O
Tpsa: 73.34
Logp: 2.9136
H Acceptors: 5
H Donors: 1
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:
C₁₉H₂₆BN₃O₃
Molecular Weight:
355.24
Synonyms:
None
SMILES:
CC(C)(C)C(NC1=NC=C2C=C(B3OC(C)(C)C(C)(C)O3)C=CC2=N1)=O
Tpsa:
73.34
Logp:
2.9136
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2