5-Butyl-1H-pyrazole-3-carboxylic acid
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5-Butyl-1H-pyrazole-3-carboxylic acid
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CAS No:
92933-48-7
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Formula:
C8H12N2O2
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Chemical Name:
5-Butyl-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,5-butyl-;5-Butyl-1H-pyrazole-3-carboxylic acid;3-Butyl-1H-pyrazole-5-carboxylic acid;890624-89-2
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CAS No:
Characteristics
66
1.8
white to beige
166-167 °C
DMSO: soluble 10mg/mL (clear solution; warmed)
2-8°C
Computed Properties
Molecular Weight:168.19
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Butyl-1H-pyrazole-3-carboxylic acid
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