6,7-Dihydro-2H-isoindol-4(5H)-one - CAS 113880-79-8

Catalog:	BB003278
Product Name:	6,7-Dihydro-2H-isoindol-4(5H)-one
CAS:	113880-79-8
Synonyms:	2,5,6,7-tetrahydroisoindol-4-one; 2,5,6,7-tetrahydroisoindol-4-one

Technical Data

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Computed Properties

IUPAC Name:	2,5,6,7-tetrahydroisoindol-4-one
Description:	6,7-Dihydro-2H-isoindol-4(5H)-one (CAS# 113880-79-8) is a useful research chemical.
Molecular Weight:	135.16
Molecular Formula:	C8H9NO
Canonical SMILES:	C1CC2=CNC=C2C(=O)C1
InChI:	InChI=1S/C8H9NO/c10-8-3-1-2-6-4-9-5-7(6)8/h4-5,9H,1-3H2
InChI Key:	KFLNDCIGSSBKBA-UHFFFAOYSA-N
LogP:	1.53370

Publication Number	Title	Priority Date
TW-202019406-A	Substituted tetrahydrocyclopenta[c]pyrrole, substituted dihydropyrrole, their analogues and methods of using them	20180727
CN-112638376-A	Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolizines, analogs thereof and methods of use thereof	20180727
KR-20210039417-A	Substituted tetrahydrocyclopenta[c]pyrrole, substituted dihydropyrrolysine, analogs thereof, and methods of use thereof	20180727
US-2021179557-A1	Substituted tetrahydrocyclopenta[c]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same	20180727
US-2020339596-A1	Furoxan-based compounds and uses thereof	20180111

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Carbonyl Compounds

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.068413911
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8