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7-butoxy-5,8-dioxoisoquinoline-1-carbonitrile

7-butoxy-5,8-dioxoisoquinoline-1-carbonitrile structure

CAS No:
113387-45-4
Formula:
C14H12N2O3
Chemical Name:
7-butoxy-5,8-dioxoisoquinoline-1-carbonitrile
Synonyms:
113387-45-4;7-Butyloxy-1-cyano-5,8-dihydroisoquinoline-5,8-dione;ACMC-20mi30;DTXSID60150378;1-Isoquinolinecarbonitrile,7-butoxy-5,8-dihydro-5,8-dioxo-;7-butoxy-5,8-dioxo-isoquinoline-1-carbonitrile;5,8-Dihydro-5,8-dioxo-7-butoxyisoquinoline-1-carbonitrile

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7-butoxy-5,8-dioxoisoquinoline-1-carbonitrile Basic Attributes

Molecular Weight：

256.26 g/mol

Exact Mass：

256.08479225 g/mol

DSSTox ID：

DTXSID60150378

Characteristics

PSA：

80 Å²

Computed Properties

Molecular Weight:256.26
XLogP3:1.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:256.08479225
Monoisotopic Mass:256.08479225
Topological Polar Surface Area:80
Heavy Atom Count:19
Complexity:461
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-butoxy-5,8-dioxoisoquinoline-1-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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