9-Fluorenone-1-carboxylic acid - CAS 1573-92-8

Name: 9-Fluorenone-1-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011318
Product Name:	9-Fluorenone-1-carboxylic acid
CAS:	1573-92-8
Synonyms:	9-oxofluorene-1-carboxylic acid

Technical Data

IUPAC Name:	9-oxofluorene-1-carboxylic acid
Description:	9-Fluorenone-1-carboxylic acid (CAS# 1573-92-8) is an intermediate in synthesizing Fluoren-1-ol (F462450), a metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.
Molecular Weight:	224.21
Molecular Formula:	C14H8O3
Canonical SMILES:	C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)C(=O)O
InChI:	InChI=1S/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17)
InChI Key:	CBEFMGJHEKAMNI-UHFFFAOYSA-N
Boiling Point:	461.6 °C at 760 mmHg
Purity:	> 98.0 % (LC) (T)
Density:	1.424 g/cm³
Appearance:	Orange crystalline powder
MDL:	MFCD00011537
LogP:	2.59620

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Publication Number	Title	Priority Date
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
WO-2020200283-A1	FLUORENONE LIGAND COMPOUND FOR Î±7 NICOTINIC ACETYLCHOLINE RECEPTOR AND USE THEREOF	20190403
US-2020192222-A1	Resist composition and patterning process	20181218
JP-2019001983-A	SQUARYLIUM DYE AND USE THEREOF	20170613
JP-2019001987-A	SQUARYLIUM DYE AND USE THEREOF	20170613

PMID	Publication Date	Title	Journal
20714442	20100615	Substrate specificity and structural characteristics of the novel Rieske nonheme iron aromatic ring-hydroxylating oxygenases NidAB and NidA3B3 from Mycobacterium vanbaalenii PYR-1	mBio
19440284	20090101	Bacterial degradation of aromatic compounds	International journal of environmental research and public health
16133330	20060501	Metabolism of fluoranthene by Mycobacterium sp. strain AP1	Applied microbiology and biotechnology
16133098	20051001	Metabolism of fluoranthene by mycobacterial strains isolated by their ability to grow in fluoranthene or pyrene	Journal of industrial microbiology & biotechnology
12137541	20020731	Practical synthesis of an open geodesic polyarene with a fullerene-type 6:6-double bond at the center: diindeno[1,2,3,4-defg;1',2',3',4'-mnop]chrysene	Journal of the American Chemical Society

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.047344113
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6