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4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium,methanesulfonate

4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium,methanesulfonate structure

CAS No:
61189-95-5
Formula:
C20H21NO7S
Chemical Name:
4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium,methanesulfonate

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4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium,methanesulfonate Basic Attributes

Molecular Weight：

419.44800

Exact Mass：

419.10387318 g/mol

Characteristics

PSA：

112.56000

XLogP3：

4.15630

Boiling Point：

497.9ºC

Flash Point：

176.8ºC

Computed Properties

Molecular Weight:419.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:419.10387318
Monoisotopic Mass:419.10387318
Topological Polar Surface Area:117
Heavy Atom Count:29
Complexity:499
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium,methanesulfonate

Basic Attributes
Characteristics
Computed Properties

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