2 5-DIMETHOXYPHENETHYL ISOCYANATE97
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2 5-DIMETHOXYPHENETHYL ISOCYANATE97
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CAS No:
480439-35-8
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Formula:
C11H13NO3
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Chemical Name:
2 5-DIMETHOXYPHENETHYL ISOCYANATE97
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Synonyms:
2,5-Dimethoxyphenethyl isocyanate;2-(2-isocyanatoethyl)-1,4-dimethoxybenzene;ACMC-20aoap;SCHEMBL1846057;CTK8C6110;DTXSID30584146;(2,5-Dimethoxyphenethyl) isocyanate;ZINC11802386;AKOS015912762;2,5-Dimethoxyphenethyl isocyanate,97%
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CAS No:
Characteristics
47.89000
1.58210
1.153 g/mL at 25ºC(lit.)
301-302 °C(lit.)
>230 °F
n20/D 1.5300(lit.)
Safety Information
UN 2206 6.1/PG 3
3
20/21/22-36/37/38-42
23-26-36
Xn
P261-P280-P305 + P351 + P338-P342 + P311
H302-H312-H315-H319-H332-H334-H335
Computed Properties
Molecular Weight:207.23
XLogP3:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:207.08954328
Monoisotopic Mass:207.08954328
Topological Polar Surface Area:47.9
Heavy Atom Count:15
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2 5-DIMETHOXYPHENETHYL ISOCYANATE97
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