CAS 621-59-0|3-Hydroxy-4-methoxybenzaldehyde|isovanillin|3-hydroxy-4-methoxybenzaldehyde|Isovanillin|3-HYDROXYANISALDEHYDE|3-Hydroxy-4-methoxybenzaldehyde|5-Formylguaiacol|Isovanilline|3-Hydroxy-<i>...

General Information

Structure

Molecular Formula

C₈H₈O₃

Molecular Mass

152.14732

Exact Mass

152.04734412

Charge

InChI

InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3

InChIKey

JVTZFYYHCGSXJV-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(c(c1)O)OC

Isomeric Smiles

C(=O)c1cc(c(cc1)OC)O

Calculated Properties

JChem

Acid pKa

9.392493

H Acceptors

H Donor

LogD (pH = 5.5)

1.2244563

LogD (pH = 7.4)

1.2201469

Log P

1.2245116

Molar Refractivity

41.0861

Polarizability

15.363309

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Hydroxy-4-methoxybenzaldehydeIsovanillin3-HYDROXYANISALDEHYDEIsovanilline3-Hydroxy-p-anisaldehyde5-FormylguaiacolISOVANILLIN3-Hydroxy-4-methoxybenzaldehyde3-羟基茴香醛异香兰醛3-HydroxyanisaldehydeIsovanillin3-羟基-4-甲氧基苯甲醛3-Hydroxy-4-methoxybenzaldehyde3-羟基大茴香醛3-Hydroxy-p-anisaldehyde异香兰醛3-羟基-4-甲氧基苯甲醛5-Formyl-2-methoxyphenolNSC 829962-Methoxy-5-formylphenol

IUPAC Traditional name

isovanillin

IUPAC name

3-hydroxy-4-methoxybenzaldehyde

IUPAC Systematic name

3-Hydroxy-4-methoxybenzaldehyde

Names and Identifiers

Registration numbers

Chemspider ID

11629

MeSH Name

Isovanillin