3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid
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![3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3b91dfab1bbf443db924a34b1ece2fd2.png "3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid")
3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid
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CAS No:
306937-00-8
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Formula:
C16H20N2O2
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Chemical Name:
3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid
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Synonyms:
1H-Pyrazole-5-carboxylic acid,3-(1,1-dimethylethyl)-1-[(3-methylphenyl)methyl]-;3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid
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CAS No:
3-(1,1-Dimethylethyl)-1-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxylic acid Basic Attributes
272.34
272.34
DTXSID80370874
Characteristics
55.12000
3.23550
1.11±0.1 g/cm3
132-133
450.4±45.0 °C(Predicted)
226.2ºC
1.563
3.63±0.36
Computed Properties
Molecular Weight:272.34
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:272.152477885
Monoisotopic Mass:272.152477885
Topological Polar Surface Area:55.1
Heavy Atom Count:20
Complexity:351
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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