3,4-Methylenedioxyphenyl isothiocyanate
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3,4-Methylenedioxyphenyl isothiocyanate
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CAS No:
113504-93-1
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Formula:
C8H5NO2S
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Chemical Name:
3,4-Methylenedioxyphenyl isothiocyanate
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Synonyms:
5-isothiocyanato-1,3-benzodioxole;
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CAS No:
3,4-Methylenedioxyphenyl isothiocyanate Basic Attributes
179.19600
179.00409958 g/mol
DTXSID40150432
2932999099
Characteristics
62.91000
2.14960
1.37 g/cm3
57ºC
311.2ºC at 760 mmHg
142ºC
1.646
Keep cold
0.00104mmHg at 25°C
Computed Properties
Molecular Weight:179.20
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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