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1-Isocyanato-3,5-dimethoxybenzene

1-Isocyanato-3,5-dimethoxybenzene structure

CAS No:
54132-76-2
Formula:
C9H9NO3
Chemical Name:
1-Isocyanato-3,5-dimethoxybenzene
Synonyms:
1-isocyanato-3,5-dimethoxybenzene;

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1-Isocyanato-3,5-dimethoxybenzene Basic Attributes

Molecular Weight：

179.17300

Exact Mass：

179.058243149

DSSTox ID：

DTXSID70371198

HScode：

2929109000

Characteristics

PSA：

47.89000

XLogP3：

1.67110

Density：

1.1g/cm3

Melting Point：

33-36ºC

Boiling Point：

279.5ºC

Flash Point：

113ºC

Refractive Index：

1.501

Safety Information

hazard class code：

R20/21/22; R36/37/38

safety instructions：

S26-S36

Marks：

Computed Properties

Molecular Weight:179.17
XLogP3:2.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:179.058243149
Monoisotopic Mass:179.058243149
Topological Polar Surface Area:47.9
Heavy Atom Count:13
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Isocyanato-3,5-dimethoxybenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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