2,3-Dihydro-1H-benz[e]inden-1-one - CAS 6342-87-6

Catalog:	BB032143
Product Name:	2,3-Dihydro-1H-benz[e]inden-1-one
CAS:	6342-87-6
Synonyms:	2,3-dihydrocyclopenta[a]naphthalen-1-one; 2,3-dihydrocyclopenta[a]naphthalen-1-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2,3-dihydrocyclopenta[a]naphthalen-1-one
Description:	2,3-Dihydro-1H-benz[e]inden-1-one (CAS# 6342-87-6) is a useful research chemical.
Molecular Weight:	182.22
Molecular Formula:	C13H10O
Canonical SMILES:	C1CC(=O)C2=C1C=CC3=CC=CC=C32
InChI:	InChI=1S/C13H10O/c14-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)12/h1-6H,7-8H2
InChI Key:	KQBXYYMELBQTFL-UHFFFAOYSA-N
Boiling Point:	348.6 °C at 760 mmHg
Density:	1.221 g/cm³
LogP:	2.96870

Publication Number	Title	Priority Date
CN-112939753-A	Synthesis method of 1-indanone compound	20200915
WO-2021006315-A1	Negative photosensitive resin composition, cured film, organic el display and method for producing cured film	20190710
JP-2021001328-A	Thermoplastic resin, optical film made of it, diol compound, diester compound	20190624
WO-2020262337-A1	Thermoplastic resin, optical film made therefrom, diol compound, diester compound	20190624
JP-2020105101-A	Oligoazafluorene monomer	20181227

PMID	Publication Date	Title	Journal
14730968	20040127	Stereochemical control of small molecule binding to bulged DNA: comparison of structures of spirocyclic enantiomer-bulged DNA complexes	Biochemistry
12859193	20030722	Solution structure of a wedge-shaped synthetic molecule at a two-base bulge site in DNA	Biochemistry

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Complexity:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.073164938
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.073164938
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9