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1,4-Dihydro-3(2H)-isoquinolinone

1,4-Dihydro-3(2H)-isoquinolinone structure

CAS No:
24331-94-0
Formula:
C9H9NO
Chemical Name:
1,4-Dihydro-3(2H)-isoquinolinone
Synonyms:
3(2H)-Isoquinolinone,1,4-dihydro-;3(2H)-Isoquinolone,1,4-dihydro-;1,4-Dihydro-3(2H)-isoquinolinone;1,4-Dihydro-3(2H)-isoquinolone;o-(Aminomethyl)phenylacetic acid lactam;NSC 134509;2,4-Dihydro-1H-isoquinolin-3-one

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1,4-Dihydro-3(2H)-isoquinolinone Basic Attributes

Molecular Weight：

147.17 g/mol

Exact Mass：

147.17

EC Number：

246-174-3

NSC Number：

134509

DSSTox ID：

DTXSID90179072

Characteristics

PSA：

29.1 Å²

Melting Point：

146-148 °C

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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.17
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:29.1
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Dihydro-3(2H)-isoquinolinone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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