3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid
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3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid
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CAS No:
175277-11-9
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Formula:
C9H14N2O2
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Chemical Name:
3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid
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Synonyms:
3-tert-Butyl-1-methylpyrazole-5-carboxylic Acid; 5-tert-butyl-2-methylpyrazole-3-carboxylic acid;
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CAS No:
3-(tert-Butyl)-1-methyl-1H-pyrazole-5-carboxylic acid Basic Attributes
182.22000
182.105527694 g/mol
DTXSID70352164
2933199090
Characteristics
55.12000
1.41580
1.13g/cm3
151ºC
317.7ºC at 760mmHg
146ºC
1.533
>27.3 [ug/mL]
0.000158mmHg at 25°C
Computed Properties
Molecular Weight:182.22
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:182.105527694
Monoisotopic Mass:182.105527694
Topological Polar Surface Area:55.1
Heavy Atom Count:13
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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