CS-0644555
(2E)-3-(1-Methyl-1H-pyrazol-4-yl)-2-propenal
Manufacturer: ChemScene
CAS Number: 2098967-86-1
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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
C₇H₈N₂O
Molecular Weight
136.15
Synonyms
None
SMILES
CN1C=C(C=N1)/C=C/C=O
Tpsa
34.89
Logp
0.6322
H Acceptors
3
H Donors
0
Rotatable Bonds
2
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: C₇H₈N₂O
Molecular Weight: 136.15
Synonyms: None
SMILES: CN1C=C(C=N1)/C=C/C=O
Tpsa: 34.89
Logp: 0.6322
H Acceptors: 3
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:
C₇H₈N₂O
Molecular Weight:
136.15
Synonyms:
None
SMILES:
CN1C=C(C=N1)/C=C/C=O
Tpsa:
34.89
Logp:
0.6322
H Acceptors:
3
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: C₆H₇N₃
Molecular Weight: 121.14
Synonyms: None
SMILES: NC1=CN(CC#C)N=C1
Tpsa: 43.84
Logp: 0.0985
H Acceptors: 3
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:
C₆H₇N₃
Molecular Weight:
121.14
Synonyms:
None
SMILES:
NC1=CN(CC#C)N=C1
Tpsa:
43.84
Logp:
0.0985
H Acceptors:
3
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: C₇H₆BrNO₃
Molecular Weight: 232.03
Synonyms: None
SMILES: O=C(C1=C(O)C(Br)=CN=C1C)O
Tpsa: 70.42
Logp: 1.55632
H Acceptors: 3
H Donors: 2
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:
C₇H₆BrNO₃
Molecular Weight:
232.03
Synonyms:
None
SMILES:
O=C(C1=C(O)C(Br)=CN=C1C)O
Tpsa:
70.42
Logp:
1.55632
H Acceptors:
3
H Donors:
2
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: C₆H₆O₄
Molecular Weight: 142.11
Synonyms: None
SMILES: O=C([C@@H]1[C@@]2([H])COC([C@@]12[H])=O)O
Tpsa: 63.6
Logp: -0.51
H Acceptors: 3
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:
C₆H₆O₄
Molecular Weight:
142.11
Synonyms:
None
SMILES:
O=C([C@@H]1[C@@]2([H])COC([C@@]12[H])=O)O
Tpsa:
63.6
Logp:
-0.51
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1