CAS 326-59-0|methyl 2-(2H-1,3-benzodioxol-5-yl)acetate|methyl 2-(2H-1,3-benzodioxol-5-yl)acetate|Methyl 2-(2H-1,3-benzodioxol-5-yl)acetate|[3,4-(Methylenedioxy)phenyl]acetic Acid Methyl Ester|Methyl...

General Information

Structure

Molecular Formula

C₁₀H₁₀O₄

Molecular Mass

194.184

Exact Mass

194.0579088

Charge

InChI

InChI=1S/C10H10O4/c1-12-10(11)5-7-2-3-8-9(4-7)14-6-13-8/h2-4H,5-6H2,1H3

InChIKey

HEMYXNDMAAOTCK-UHFFFAOYSA-N

Canonic Smiles

COC(=O)Cc1ccc2c(c1)OCO2

Isomeric Smiles

c12c(OCO1)ccc(c2)CC(=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.3801216

LogD (pH = 7.4)

1.3801216

Log P

1.3801216

Molar Refractivity

47.9016

Polarizability

19.12265

Polar Surface Area

44.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

methyl 2-(2H-1,3-benzodioxol-5-yl)acetate

Synonyms

Methyl 2-(2H-1,3-benzodioxol-5-yl)acetate[3,4-(Methylenedioxy)phenyl]acetic Acid Methyl EsterMethyl (3,4-Methylenedioxyphenyl)acetateMethyl 1,3-Benzodioxole-5-acetate1,3-Benzodioxole-5-acetic Acid Methyl EsterMethyl 4,5-(Methylenedioxy)phenylacetateNSC 105308

IUPAC Traditional name

methyl 2-(2H-1,3-benzodioxol-5-yl)acetate

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number