CS-0567112
3-Cyano-1-methyl-1H-pyrazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 81303-57-3
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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
C₆H₅N₃O₂
Molecular Weight
151.12
Synonyms
3-cyano-1,2-dihydro-4-methylthio-2-oxo-6-phenyl-2H-pyran-5-ylacetic acid
SMILES
O=C(C1=CN(C)N=C1C#N)O
Tpsa
78.91
Logp
-0.01002
H Acceptors
4
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₆H₅N₃O₂
Molecular Weight: 151.12
Synonyms: 3-cyano-1,2-dihydro-4-methylthio-2-oxo-6-phenyl-2H-pyran-5-ylacetic acid
SMILES: O=C(C1=CN(C)N=C1C#N)O
Tpsa: 78.91
Logp: -0.01002
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:
C₆H₅N₃O₂
Molecular Weight:
151.12
Synonyms:
3-cyano-1,2-dihydro-4-methylthio-2-oxo-6-phenyl-2H-pyran-5-ylacetic acid
SMILES:
O=C(C1=CN(C)N=C1C#N)O
Tpsa:
78.91
Logp:
-0.01002
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: C₈H₆N₂O
Molecular Weight: 146.15
Synonyms: Benzonitrile, 4-amino-3-formyl- (9CI)
SMILES: N#CC1=CC=C(N)C(C=O)=C1
Tpsa: 66.88
Logp: 0.95298
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:
C₈H₆N₂O
Molecular Weight:
146.15
Synonyms:
Benzonitrile, 4-amino-3-formyl- (9CI)
SMILES:
N#CC1=CC=C(N)C(C=O)=C1
Tpsa:
66.88
Logp:
0.95298
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: C₉H₁₀N₂O₅
Molecular Weight: 226.19
Synonyms: methyl 5-amino-4-nitro-anisate
SMILES: O=C(OC)C1=CC(N)=C([N+]([O-])=O)C=C1OC
Tpsa: 104.69
Logp: 0.9722
H Acceptors: 6
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:
C₉H₁₀N₂O₅
Molecular Weight:
226.19
Synonyms:
methyl 5-amino-4-nitro-anisate
SMILES:
O=C(OC)C1=CC(N)=C([N+]([O-])=O)C=C1OC
Tpsa:
104.69
Logp:
0.9722
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD18807958
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: 1-Methyl-1H-benzo[d]imidazole-7-carboxylic acid
SMILES: O=C(C1=C2C(N=CN2C)=CC=C1)O
Tpsa: 55.12
Logp: 1.2715
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD18807958
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
1-Methyl-1H-benzo[d]imidazole-7-carboxylic acid
SMILES:
O=C(C1=C2C(N=CN2C)=CC=C1)O
Tpsa:
55.12
Logp:
1.2715
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1