2-Methyl-1-phenyl-3-butyne-1,2-diol
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2-Methyl-1-phenyl-3-butyne-1,2-diol
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CAS No:
2033-94-5
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Formula:
C11H12O2
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Chemical Name:
2-Methyl-1-phenyl-3-butyne-1,2-diol
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Synonyms:
3-Butyne-1,2-diol,2-methyl-1-phenyl-;2-Methyl-1-phenyl-3-butyne-1,2-diol;Centalun;3-Methyl-3,4-dihydroxy-4-phenyl-1-butyne
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CAS No:
Characteristics
40.46000
1.10420
1.164g/cm3
62-65 °C
333.7ºC at 760 mmHg
163.1ºC
1.582
5.32E-05mmHg at 25°C
Computed Properties
Molecular Weight:176.21
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:13
Complexity:209
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 2-Methyl-1-phenyl-3-butyne-1,2-diol
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