CAS 6702-50-7|methyl 3-hydroxy-4-methoxybenzoate|methyl 3-hydroxy-4-methoxybenzoate|Methyl 3-hydroxy-4-methoxybenzenecarboxylate|2-Hydroxy-4-(methoxycarbonyl)anisole|2-Methoxy-5-(methoxycarbonyl)phe...

General Information

Structure

Molecular Formula

C₉H₁₀O₄

Molecular Mass

182.1733

Exact Mass

182.0579088

Charge

InChI

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

InChIKey

QXOXUEFXRSIYSW-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(c(c1)O)OC

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

9.599883

H Acceptors

H Donor

LogD (pH = 5.5)

1.5154519

LogD (pH = 7.4)

1.5127745

Log P

1.5154862

Molar Refractivity

46.5274

Polarizability

17.916235

Polar Surface Area

55.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

methyl 3-hydroxy-4-methoxybenzoate

IUPAC Traditional name

methyl 3-hydroxy-4-methoxybenzoate

Synonyms

Methyl 3-hydroxy-4-methoxybenzenecarboxylate2-Hydroxy-4-(methoxycarbonyl)anisole2-Methoxy-5-(methoxycarbonyl)phenolMethyl 3-hydroxy-4-methoxybenzoateMethyl isovanillate3-羟基-4-甲氧基苯甲酸甲酯Methyl 3-hydroxy-4-methoxybenzoateMethyl-3-hydroxy-4-Methoxybenzoate

Names and Identifiers

Registration numbers

MDL Number

PubChem CID

PubChem SID

CAS Number

Registration numbers

Properties