2-Indanone - CAS 615-13-4

Catalog:	BB031154
Product Name:	2-Indanone
CAS:	615-13-4
Synonyms:	1,3-dihydroinden-2-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-dihydroinden-2-one
Description:	2-Indanone (CAS# 615-13-4) is a reagent in the synthesis of Aprindine Hydrochloride (A729900), which is a long-acting antiarrhythmic agent, effective when administered orally or intravenously in the treatment of ventricular arrhythmias of varying etiologies.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	C1C(=O)CC2=CC=CC=C21
InChI:	InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
InChI Key:	UMJJFEIKYGFCAT-UHFFFAOYSA-N
Boiling Point:	248.9 ℃ at 760 mmHg
Melting Point:	50-57 ℃
Purity:	98 %
Density:	218
Appearance:	Wet crystalline aggregates
Storage:	2-8 ℃
MDL:	MFCD00003792
LogP:	1.35430

Publication Number	Title	Priority Date
WO-2020192650-A1	Preparation method for amide compound and application thereof in field of medicine	20190325
WO-2020192652-A1	Preparation method for amide compounds and use thereof in medical field	20190325
WO-2019216541-A1	Transition metal compound for olefin polymerization catalyst, and olefin polymerization catalyst including same	20180510
US-2020392260-A1	Transition metal compound for olefin polymerization catalyst, and olefin polymerization catalyst including same	20180510
US-2019290778-A1	Methods and compounds for targeted autophagy	20180323

PMID	Publication Date	Title	Journal
21598988	20110701	Synthesis of indenoporphyrins, highly modified porphyrins with reduced diatropic characteristics	The Journal of organic chemistry
20632354	20100802	Calculation of the vibrationally resolved, circularly polarized luminescence of d-camphorquinone and (S,S)-trans-beta-hydrindanone	Chemphyschem : a European journal of chemical physics and physical chemistry
19740655	20091015	Diastereoisomers of 2-benzyl-2, 3-dihydro-2-(1H-inden-2-yl)-1H-inden-1-ol: potential anti-inflammatory agents	Bioorganic & medicinal chemistry letters
19440284	20090101	Bacterial degradation of aromatic compounds	International journal of environmental research and public health
17929782	20071101	Calorimetric and computational study of indanones	The journal of physical chemistry. A

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Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3