CAS 708-76-9|2-HYDROXY-4,6-DIMETHOXY BENZALDEHYDE|2-hydroxy-4,6-dimethoxybenzaldehyde|2-hydroxy-4,6-dimethoxybenzaldehyde|2-Hydroxy-4,6-dimethoxybenzaldehyde|4,6-Dimethoxy-2-hydroxybenzaldehyde 98%|...

General Information

Structure

Molecular Formula

C₉H₁₀O₄

Molecular Mass

182.1733

Exact Mass

182.0579088

Charge

InChI

InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3

InChIKey

FQRQWPNYJOFDLO-UHFFFAOYSA-N

Canonic Smiles

COc1cc(OC)cc(c1C=O)O

Isomeric Smiles

O(c1cc(c(c(c1)OC)C=O)O)C

Calculated Properties

JChem

Acid pKa

8.388229

H Acceptors

H Donor

LogD (pH = 5.5)

1.7162833

LogD (pH = 7.4)

1.6747164

Log P

1.7168403

Molar Refractivity

47.5493

Polarizability

17.9117

Polar Surface Area

55.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-HYDROXY-4,6-DIMETHOXY BENZALDEHYDE2-Hydroxy-4,6-dimethoxybenzaldehyde4,6-Dimethoxy-2-hydroxybenzaldehyde 98%4,6-Dimethoxysalicylaldehyde4,6-二甲氧基-2-羟基苯甲醛2,4-二甲氧基-6-羟基苯甲醛2,4-Dimethoxy-6-hydroxybenzaldehyde4,6-Dimethoxy-2-hydroxybenzaldehyde4,6-二甲氧基水杨醛

IUPAC Traditional name

2-hydroxy-4,6-dimethoxybenzaldehyde

IUPAC name

2-hydroxy-4,6-dimethoxybenzaldehyde

Names and Identifiers

Registration numbers

CAS Number

708-76-9

Beilstein Number

1241679

EC Number

211-904-1