CAS 6272-26-0|2,3-Dihydro-6-hydroxybenzo[b]furan-3(2H)-one|6-hydroxy-2H-1-benzofuran-3-one|6-Hydroxybenzo[b]furan-3(2H)-one|6-hydroxy-2,3-dihydro-1-benzofuran-3-one|6-hydroxy-2,3-dihydrobenzo[b]fura...

General Information

Structure

Molecular Formula

C₈H₆O₃

Molecular Mass

150.13144

Exact Mass

150.03169405

Charge

InChI

InChI=1S/C8H6O3/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3,9H,4H2

InChIKey

GBDMODVZBPFQKI-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc2c(c1)OCC2=O

Isomeric Smiles

O1c2c(ccc(c2)O)C(=O)C1

Calculated Properties

JChem

Acid pKa

7.6274276

H Acceptors

H Donor

LogD (pH = 5.5)

0.76777714

LogD (pH = 7.4)

0.5651855

Log P

0.7709858

Molar Refractivity

38.3458

Polarizability

14.645842

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

6-hydroxy-2H-1-benzofuran-3-one

Synonyms

2,3-Dihydro-6-hydroxybenzo[b]furan-3(2H)-one6-Hydroxybenzo[b]furan-3(2H)-one6-hydroxy-2,3-dihydrobenzo[b]furan-3-one6-hydroxybenzofuran-3(2H)-one6-Hydroxy-3-coumaranone6-hydroxy-1-benzofuran-3(2H)-one6-Hydroxy-2H-benzofuran-3-one6-Hydroxy-3-coumaranone6-羟基-2H-苯并呋喃-3-酮6-Hydroxy-2,3-dihydro-1-benzofuran-3-one6-Hydroxy-2H-benzofuran-3-one

IUPAC name

6-hydroxy-2,3-dihydro-1-benzofuran-3-one

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

Beilstein Number