2,3-Dimethylbenzofuran

CAS: 3782-00-1 | C10H10O

2D Structure

Loading 3D structure...

CAS Registry Number

3782-00-1

SMILES

Cc1oc2ccccc2c1C

InChI Key

YGBXXWTZWLALGR-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	146.19 g/mol	CAS Common Chemistry
	146.18899999999996 g/mol	RDKit
	146.189 g/mol	RDKit
	147.197 g/mol	chempirical lib
Canonical SMILES	O1C=2C=CC=CC2C(=C1C)C	CAS Common Chemistry
InChI	InChI=1S/C10H10O/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6H,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=YGBXXWTZWLALGR-UHFFFAOYSA-N	CAS Common Chemistry
Name	2,3-Dimethylbenzofuran	CAS Common Chemistry
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	13.14 Å²	RDKit
LogP	3.049640000000001	RDKit
	3.0496	RDKit
Molar Refractivity	45.688000000000024 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.2	RDKit
Exact Mass	146.07316494 g/mol	RDKit
Boiling Point	101-102 °C @ 19 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.

Other compounds with formula C10H10O.