CAS 5446-02-6|methyl 2-hydroxy-4-methoxybenzoate|methyl 2-hydroxy-4-methoxybenzoate|Methyl 2-hydroxy-4-methoxybenzoate 98%|Methyl 4-methoxysalicylate|Methyl 4-methoxysalicylate|Methyl 2-hydroxy-4-me...

General Information

Structure

Molecular Formula

C₉H₁₀O₄

Molecular Mass

182.1733

Exact Mass

182.0579088

Charge

InChI

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

InChIKey

ZICRWXFGZCVTBZ-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(c(c1)O)C(=O)OC

Isomeric Smiles

O(C(=O)c1c(cc(cc1)OC)O)C

Calculated Properties

JChem

Acid pKa

9.627997

H Acceptors

H Donor

LogD (pH = 5.5)

2.1654541

LogD (pH = 7.4)

2.1629457

Log P

2.165486

Molar Refractivity

46.5274

Polarizability

17.916916

Polar Surface Area

55.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

methyl 2-hydroxy-4-methoxybenzoate

IUPAC name

methyl 2-hydroxy-4-methoxybenzoate

Synonyms

Methyl 2-hydroxy-4-methoxybenzoate 98%Methyl 4-methoxysalicylateMethyl 4-methoxysalicylateMethyl 2-hydroxy-4-methoxybenzoate2-羟基-4-甲氧基苯甲酸甲酯methyl 2-hydroxy-4-methoxybenzoate4-甲氧基水杨酸甲酯2-羟基-4-甲氧基苯甲酸甲酯Methyl 2-hydroxy-4-methoxybenzoate2-Hydroxy-4-methoxybenzoic acid methyl ester

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

EC Number