5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
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5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
structure -
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CAS No:
14678-95-6
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Formula:
C11H11N3O3
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Chemical Name:
5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
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Synonyms:
1H-Pyrazole-4-carboxylic acid,5-amino-1-(4-methoxyphenyl)-;Pyrazole-4-carboxylic acid,5-amino-1-(p-methoxyphenyl)-;5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
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CAS No:
5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid Basic Attributes
233.23
233.22
DTXSID80393907
Characteristics
90.37000
1.74250
1.41±0.1 g/cm3(Predicted)
180-185 °C (dec.)(lit.)
462.2±40.0 °C(Predicted)
233.4ºC
1.646
2.42E-09mmHg at 25°C
Safety Information
NONH for all modes of transport
3
43
26-36/37
Xi
P280
H317
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 194 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:233.22
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:233.08004122
Monoisotopic Mass:233.08004122
Topological Polar Surface Area:90.4
Heavy Atom Count:17
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
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