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6,7-dimethoxy-2H-isoquinolin-1-one

6,7-dimethoxy-2H-isoquinolin-1-one structure

CAS No:
16101-63-6
Formula:
C11H11NO3
Chemical Name:
6,7-dimethoxy-2H-isoquinolin-1-one
Synonyms:
6,7-dimethoxyisoquinolone; 2H-Isoquinolin-1-one,6,7-dimethoxy; 6,7-Dimethoxy-isoquinolinone;

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6,7-dimethoxy-2H-isoquinolin-1-one Basic Attributes

Molecular Weight：

205.21000

Exact Mass：

205.07389321

DSSTox ID：

DTXSID10391355

HScode：

2933790090

Characteristics

PSA：

51.32000

XLogP3：

1.54530

Density：

1.206g/cm3

Boiling Point：

462.7ºC

Flash Point：

233.6ºC

Refractive Index：

1.558

Vapor Pressure：

9.66E-09mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:205.21
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:205.07389321
Monoisotopic Mass:205.07389321
Topological Polar Surface Area:47.6
Heavy Atom Count:15
Complexity:277
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6,7-dimethoxy-2H-isoquinolin-1-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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