CAS 55745-70-5|2,3-dihydro-1-benzofuran-5-carbaldehyde|2,3-dihydro-1-benzofuran-5-carbaldehyde|2,3-Dihydro-1-benzofuran-5-carbaldehyde|2,3-Dihydro-5-formylbenzo[b]furan|2,3-Dihydrobenzo[b]furan-5-ca...

General Information

Structure

Molecular Formula

C₉H₈O₂

Molecular Mass

148.15862

Exact Mass

148.0524295

Charge

InChI

InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2

InChIKey

WEBVDBDZSOJGPB-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc2c(c1)CCO2

Isomeric Smiles

c12c(OCC2)ccc(c1)C=O

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.5679654

LogD (pH = 7.4)

1.5679654

Log P

1.5679654

Molar Refractivity

42.4148

Polarizability

15.772028

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2,3-dihydro-1-benzofuran-5-carbaldehyde

Synonyms

2,3-Dihydro-1-benzofuran-5-carbaldehyde2,3-Dihydro-5-formylbenzo[b]furan2,3-Dihydro-1-benzofuran-5-carbaldehyde2,3-Dihydrobenzo[b]furan-5-carboxaldehyde2,3-dihydrobenzo[b]furan-5-carbaldehyde2,3-Dihydrobenzofuran-5-carboxaldehyde2,3-二氢苯并呋喃-5-甲醛2,3-Dihydrobenzofuran-5-carboxaldehyde5-Formyl-2,3-dihydrobenzo[b]furan2,3-Dihydrobenzofuran-5-carbaldehyde5-Formylcoumaran5-Formyl-2,3-dihydrobenzofuran2,3-Dihydrobenzo[b]furan-5-carboxaldehyde

IUPAC Traditional name

2,3-dihydro-1-benzofuran-5-carbaldehyde

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID