4-Aza-9-fluorenone - CAS 3882-46-0

Catalog:	BB023768
Product Name:	4-Aza-9-fluorenone
CAS:	3882-46-0
Synonyms:	5-indeno[1,2-b]pyridinone; indeno[1,2-b]pyridin-5-one

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Computed Properties

IUPAC Name:	indeno[1,2-b]pyridin-5-one
Description:	4-Aza-9-fluorenone (CAS# 3882-46-0) is a useful research chemical compound.
Molecular Weight:	181.19
Molecular Formula:	C12H7NO
Canonical SMILES:	C1=CC=C2C(=C1)C3=C(C2=O)C=CC=N3
InChI:	InChI=1S/C12H7NO/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11/h1-7H
InChI Key:	LAHFQGLEIGIEMT-UHFFFAOYSA-N
Boiling Point:	361 °C at 760 mmHg
Density:	1.312 g/cm³
LogP:	2.29300

Publication Number	Title	Priority Date
CN-110317172-B	Azafluorenone derivative and preparation method and application thereof	20190726
CN-111748339-A	Organic electroluminescent compound and manufacturing method of device thereof	20190329
US-2019391493-A1	Compound and composition for forming organic film	20180620
US-11022882-B2	Compound and composition for forming organic film	20180620
KR-20190109881-A	Organic light-emitting compound and organic electroluminescent device comprising the same	20180319

PMID	Publication Date	Title	Journal
21587724	20100616	Hexaaqua-zinc(II) bis-(2,4,5-tricarboxybenzoate) 4,5-diaza-fluoren-9-one disolvate dihydrate	Acta crystallographica. Section E, Structure reports online
19924075	20091103	Bioactive azafluorenone alkaloids from Polyalthia debilis (Pierre) Finet & Gagnep	Molecules (Basel, Switzerland)
15663900	20050201	Onychin inhibits proliferation of vascular smooth muscle cells by regulating cell cycle	Acta pharmacologica Sinica
15700771	20050101	A hybrid between the antifungal azole eberconazole and the alkaloid onychine	Die Pharmazie
15556162	20041217	MAPK pathway mediates the protective effects of onychin on oxidative stress-induced apoptosis in ECV304 endothelial cells	Life sciences

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.052763847
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2