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3-METHYLISOQUINOLIN-1(2H)-ONE

3-METHYLISOQUINOLIN-1(2H)-ONE structure

CAS No:
7114-80-9
Formula:
C10H9NO
Chemical Name:
3-METHYLISOQUINOLIN-1(2H)-ONE
Synonyms:
3-methylisoquinolin-1(2H)-one;3-methyl-2H-isoquinolin-1-one;3-methylisoquinolin-1-ol;3-methyl-1,2-dihydroisoquinolin-1-one;3-METHYL-1(2H)-ISOQUINOLINONE;MLS000089833;methylisocarbostyril;3-methyl-1-isoquinolinol;3-methyl-isoquinolin-1-ol;SCHEMBL161637

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3-METHYLISOQUINOLIN-1(2H)-ONE Basic Attributes

Molecular Weight：

159.185

Exact Mass：

159.068420

DSSTox ID：

DTXSID70390546

HScode：

2933790090

Characteristics

PSA：

33.12000

XLogP3：

1.73

Density：

1.1±0.1 g/cm3

Boiling Point：

371.7±35.0 °C at 760 mmHg

Flash Point：

217.7±10.9 °C

Refractive Index：

1.574

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:159.18
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:29.1
Heavy Atom Count:12
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-METHYLISOQUINOLIN-1(2H)-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-METHYLISOQUINOLIN-1(2H)-ONE

SDS

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