CAS 69999-16-2|2,3-dihydro-1-benzofuran-5-ylacetic acid|2,3-Dihydro-5-benzofuranacetic acid|2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid|2,3-Dihydrobenzo[b]furan-5-acetic acid|2-(2,3-dihydrobenzofur...

General Information

Structure

Molecular Formula

C₁₀H₁₀O₃

Molecular Mass

178.1846

Exact Mass

178.06299418

Charge

InChI

InChI=1S/C10H10O3/c11-10(12)6-7-1-2-9-8(5-7)3-4-13-9/h1-2,5H,3-4,6H2,(H,11,12)

InChIKey

LALSYIKKTXUSLG-UHFFFAOYSA-N

Canonic Smiles

OC(=O)Cc1ccc2c(c1)CCO2

Isomeric Smiles

O1CCc2c1ccc(c2)CC(=O)O

Calculated Properties

JChem

Acid pKa

4.0591493

H Acceptors

H Donor

LogD (pH = 5.5)

0.040428746

LogD (pH = 7.4)

-1.6309556

Log P

1.4932114

Molar Refractivity

47.1384

Polarizability

18.09099

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2,3-dihydro-1-benzofuran-5-ylacetic acid

Synonyms

2,3-Dihydro-5-benzofuranacetic acid2,3-Dihydrobenzo[b]furan-5-acetic acid2-(2,3-dihydrobenzofuran-5-yl)acetic acid(2,3-Dihydrobenzofuran-5-yl)acetic Acid2-(2,3-Dihydrobenzofuran-5-yl)acetic Acid2,3-Dihydrobenzofuran-5-acetic Acid2,3-dihydro-1-benzofuran-5-ylacetic acid

IUPAC name

2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number