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1(2H)-Isoquinolinone

1(2H)-Isoquinolinone structure

CAS No:
491-30-5
Formula:
C9H7NO
Chemical Name:
1(2H)-Isoquinolinone
Synonyms:
1(2H)-Isoquinolinone;Isocarbostyril;1(2H)-Isoquinolone;1-Isoquinolinol;1-Hydroxyisoquinoline;1-Oxo-1,2-dihydroisoquinoline;2(1H)-Isoquinolinone;NSC 27273;2H-Isoquinolin-1-one;1,2-Dihydroisoquinolin-1-one;4053-48-9
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Yellow Solid

Isoquinolin-1(2H)-one is a member of isoquinolines.

1(2H)-Isoquinolinone Basic Attributes

Molecular Weight：

145.16

Exact Mass：

145.16

EC Number：

207-732-1

UNII：

95EG3HGG1P

NSC Number：

27273

DSSTox ID：

DTXSID10197677

HScode：

2933499090

Characteristics

PSA：

29.1

XLogP3：

1.3

Appearance：

White to pale brown Powder or Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

212.5 °C

Boiling Point：

376.252ºC at 760 mmHg

Flash Point：

199.5±21.2 °C

Refractive Index：

1.691

Storage Conditions：

Refrigerator

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25-37-26

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Drug Information

MeSH Entry Terms：

isocarbostyril

Computed Properties

Molecular Weight:145.16
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:29.1
Heavy Atom Count:11
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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