CAS 3663-82-9|(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-methanol|2,3-dihydro-1,4-benzodioxin-2-ylmethanol|2,3-dihydro-1,4-benzodioxin-2-ylmethanol|2,3-dihydro-1,4-benzodioxin-2-ylmethanol|1,4-Benzodioxan-...

General Information

Structure

Molecular Formula

C₉H₁₀O₃

Molecular Mass

166.1739

Exact Mass

166.06299418

Charge

InChI

InChI=1S/C9H10O3/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,10H,5-6H2

InChIKey

GWQOQQVKVOOHTI-UHFFFAOYSA-N

Canonic Smiles

OCC1COc2c(O1)cccc2

Isomeric Smiles

c1ccc2c(c1)OC(CO2)CO

Calculated Properties

JChem

Acid pKa

14.583295

H Acceptors

H Donor

LogD (pH = 5.5)

0.8560434

LogD (pH = 7.4)

0.8560434

Log P

0.8560434

Molar Refractivity

42.9779

Polarizability

17.110548

Polar Surface Area

38.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-methanol2,3-dihydro-1,4-benzodioxin-2-ylmethanol1,4-Benzodioxan-2-methanol2-羟基甲基-1,4-苯并二噁烷1,4-苯并二噁烷-2-甲醇2-Hydroxymethyl-1,4-benzodioxan(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methanol2-羟基甲基-1,4-苯并二恶烷1,4-Benzodioxane-2-methanol2-Hydroxymethyl-1,4-benzodioxane

IUPAC name

2,3-dihydro-1,4-benzodioxin-2-ylmethanol

IUPAC Traditional name

2,3-dihydro-1,4-benzodioxin-2-ylmethanol

Names and Identifiers

Registration numbers

Beilstein Number

83736

EC Number

222-921-9

CAS Number

3663-82-9