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5-(1,3-dioxoisoindol-2-yl)pentanenitrile

5-(1,3-dioxoisoindol-2-yl)pentanenitrile structure

CAS No:
15102-28-0
Formula:
C13H12N2O2
Chemical Name:
5-(1,3-dioxoisoindol-2-yl)pentanenitrile
Synonyms:
15102-28-0;STK366373;5-(1,3-dioxoisoindol-2-yl)pentanenitrile;NSC19467;SCHEMBL5840903;2H-Isoindole-2-pentanenitrile,1,3-dihydro-1,3-dioxo-;DTXSID80280969;ZINC1566894;NSC-19467;AKOS005443158;MCULE-4388104086;DS-013341;5-(1,3-Dioxoisoindoline-2-yl)pentanenitrile;5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentanenitrile;5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanenitrile

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5-(1,3-dioxoisoindol-2-yl)pentanenitrile Basic Attributes

Molecular Weight：

228.25 g/mol

Exact Mass：

228.089877630 g/mol

NSC Number：

19467

DSSTox ID：

DTXSID80280969

Characteristics

PSA：

61.2 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:228.25
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:228.089877630
Monoisotopic Mass:228.089877630
Topological Polar Surface Area:61.2
Heavy Atom Count:17
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,3-dioxoisoindol-2-yl)pentanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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