Fluorene-1-carboxylic acid - CAS 6276-03-5

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

Technical Data

IUPAC Name:	9H-fluorene-1-carboxylic acid
Description:	Fluorene-1-carboxylic acid (CAS# 6276-03-5) is an intermediate used in the synthesis of Fluoren-1-ol (F462450), which is 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. Also, it possesses interface electronic properties. Achiral fluorescent agent.
Molecular Weight:	210.23
Molecular Formula:	C14H10O2
Canonical SMILES:	C1C2=CC=CC=C2C3=C1C(=CC=C3)C(=O)O
InChI:	InChI=1S/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)
InChI Key:	HTPXFGUCAUTOEL-UHFFFAOYSA-N
Boiling Point:	100 °C / 12 mmHg
Purity:	> 97.0 % (T)
Density:	1.306 g/cm³
Appearance:	Light brown powder
MDL:	MFCD00001130
LogP:	2.95600

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

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PMID	Publication Date	Title	Journal
20034792	20100201	Discovery of N-aryl-9-oxo-9H-fluorene-1-carboxamides as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay. 2. Structure-activity relationships of the 9-oxo-9H-fluorene ring	Bioorganic & medicinal chemistry letters
21828626	20090902	Study of the electronic structure at the interface between fluorene-1-carboxylic acid molecules and Cu(110)	Journal of physics. Condensed matter : an Institute of Physics journal
16952130	20061124	Inorganic-cored photoactive assemblies: synthesis, structure, and photochemical investigations on stannoxane-supported multifluorene compounds	Chemistry (Weinheim an der Bergstrasse, Germany)

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.068079557
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.068079557
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4