4-Ethenyl-2,3-Dihydrobenzofuran

CAS: 230642-84-9 | C10H10O

2D Structure

Loading 3D structure...

CAS Registry Number

230642-84-9

SMILES

C=Cc1cccc2c1CCO2

InChI Key

WLZOPMPOGRQZCJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2

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
Canonical SMILES	O1C2=CC=CC(C=C)=C2CC1	CAS Common Chemistry
InChI	InChI=1S/C10H10O/c1-2-8-4-3-5-10-9(8)6-7-11-10/h2-5H,1,6-7H2	CAS Common Chemistry
InChI Key	InChIKey=WLZOPMPOGRQZCJ-UHFFFAOYSA-N	CAS Common Chemistry
Name	4-Ethenyl-2,3-dihydrobenzofuran	CAS Common Chemistry
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	9.23 Å²	RDKit
LogP	2.264500000000001	RDKit
	2.2645	RDKit
Molar Refractivity	45.73200000000003 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.2	RDKit
Exact Mass	146.07316494 g/mol	RDKit

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.