CAS 4093-28-1|methyl 4-acetamido-2-hydroxybenzoate|Methyl 4-(acetylamino)-2-hydroxybenzenecarboxylate|methyl 4-acetamido-2-hydroxybenzoate|Methyl 4-acetamido-2-hydroxybenzoate|Methyl 4-(acetylamino)...

General Information

Structure

Molecular Formula

C₁₀H₁₁NO₄

Molecular Mass

209.19864

Exact Mass

209.06880784

Charge

InChI

InChI=1S/C10H11NO4/c1-6(12)11-7-3-4-8(9(13)5-7)10(14)15-2/h3-5,13H,1-2H3,(H,11,12)

InChIKey

LCXHOHRQXZMSQN-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(cc1O)NC(=O)C

Isomeric Smiles

c1(c(cc(NC(=O)C)cc1)O)C(=O)OC

Calculated Properties

JChem

Acid pKa

9.407305

H Acceptors

H Donor

LogD (pH = 5.5)

1.5608145

LogD (pH = 7.4)

1.5566529

Log P

1.5608678

Molar Refractivity

54.9272

Polarizability

20.298733

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

methyl 4-acetamido-2-hydroxybenzoate

IUPAC name

methyl 4-acetamido-2-hydroxybenzoate

Synonyms

Methyl 4-(acetylamino)-2-hydroxybenzenecarboxylate3-Hydroxy-4-(methoxycarbonyl)acetanilideMethyl 4-(acetylamino)-2-hydroxybenzoateMethyl 4-acetamidosalicylateMethyl 4-acetamido-2-hydroxybenzoateMethyl 4-Acetamido-2-hydroxybenzoateMethyl 2-Hydroxy-4-(acetylamino)benzoate4-(Acetylamino)-2-hydroxy-benzoic Acid Methyl Ester4-Acetylaminosalicylic Acid Methyl EsterMethyl 4-(Acetylamino)salicylate

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Registration numbers

Properties