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1-OXO-1,3-DIHYDRO-2-BENZOFURAN-4-CARBONITRILE

1-OXO-1,3-DIHYDRO-2-BENZOFURAN-4-CARBONITRILE structure

CAS No:
90483-95-7
Formula:
C9H5NO2
Chemical Name:
1-OXO-1,3-DIHYDRO-2-BENZOFURAN-4-CARBONITRILE
Synonyms:
1-Oxo-1,3-dihydroisobenzofuran-4-carbonitrile;1-oxo-1,3-dihydro-2-benzofuran-4-carbonitrile;1-OXO-1,3-DIHYDRO-ISOBENZOFURAN-4-CARBONITRILE;4-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-;cinnamylformate;4-Cyanophthalide;1-oxo-3H-isobenzofuran-4-carbonitrile;CTK5G8016;DTXSID00470789;ZINC21994074

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1-OXO-1,3-DIHYDRO-2-BENZOFURAN-4-CARBONITRILE Basic Attributes

Molecular Weight：

159.14100

Exact Mass：

159.03200

DSSTox ID：

DTXSID00470789

Characteristics

PSA：

50.09000

XLogP3：

1.22868

Density：

1.36g/cm3

Melting Point：

173-174 °C

Boiling Point：

413.194ºC at 760 mmHg

Flash Point：

202.581ºC

Refractive Index：

1.607

Computed Properties

Molecular Weight:159.14
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Exact Mass:159.032028402
Monoisotopic Mass:159.032028402
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-OXO-1,3-DIHYDRO-2-BENZOFURAN-4-CARBONITRILE

Basic Attributes
Characteristics
Computed Properties

1-OXO-1,3-DIHYDRO-2-BENZOFURAN-4-CARBONITRILE

SDS

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