Fluorenone

CAS: 486-25-9 · C13H8O

2D Structure

Loading 3D structure...

CAS Registry Number

486-25-9

SMILES

O=C1c2ccccc2-c2ccccc21

InChI Key

YLQWCDOCJODRMT-UHFFFAOYSA-N

InChI

InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	180.21 g/mol	CAS Common Chemistry
	180.206 g/mol	RDKit
Density	1.13 g/cm³	CAS Common Chemistry
	1.1300 g/cm3 @ 99 °C	CAS Common Chemistry
Wikipedia Url	https://en.wikipedia.org/wiki/Fluorenone	CAS Common Chemistry
Canonical SMILES	O=C1C=2C=CC=CC2C=3C=CC=CC13	CAS Common Chemistry
InChI	InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H	CAS Common Chemistry
InChI Key	InChIKey=YLQWCDOCJODRMT-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	84 °C	CAS Common Chemistry
Name	Fluorenone	CAS Common Chemistry
Heavy Atom Count	14	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	17.07 Å²	RDKit
LogP	2.8980000000000015	RDKit
	2.898	RDKit
Molar Refractivity	55.31050000000002 cm³/mol	RDKit
Ring Count	3	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	180.057514876 g/mol	RDKit
Boiling Point	341.5 °C @ 760 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 180.21 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)