CAS 1571-08-0|methyl 4-formylbenzoate|Methyl 4-formylbenzoate|methyl 4-formylbenzoate|4-(Methoxycarbonyl)benzaldehyde|Methyl terephthalaldehydate|4-甲醛苯甲酸甲酯|Methyl benzaldehyde-4-carboxylate|M...

General Information

Structure

Molecular Formula

C₉H₈O₃

Molecular Mass

164.15802

Exact Mass

164.04734412

Charge

InChI

InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3

InChIKey

FEIOASZZURHTHB-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1ccc(cc1)C=O

Isomeric Smiles

C(=O)(c1ccc(cc1)C=O)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.6892251

LogD (pH = 7.4)

1.6892251

Log P

1.6892251

Molar Refractivity

44.6673

Polarizability

16.65626

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

methyl 4-formylbenzoate

Synonyms

Methyl 4-formylbenzoate4-(Methoxycarbonyl)benzaldehydeMethyl terephthalaldehydate4-甲醛苯甲酸甲酯Methyl benzaldehyde-4-carboxylateMethyl 4-formylbenzoate4-甲酰基苯甲酸甲酯对甲酰基苯甲酸甲酯4-Carbomethoxybenzaldehydep-Carbomethoxybenzaldehydep-Formylbenzoic Acid Methyl Ester4-Carboxybenzaldehyde Methyl Ester4-MethoxycarbonylbenzaldehydePara(methoxycarbonyl)benzaldehydeTerephthalaldehydic Acid Methyl EsterMethyl 4-formylbenzoatep-(Methoxycarbonyl)benzaldehyde4-甲醛-苯甲酸甲酯4-Formylbenzoic Acid Methyl Ester4-Formylbenzoic Acid Methyl EsterMethyl p-FormylbenzoateNSC 28459

IUPAC Traditional name

methyl 4-formylbenzoate

Names and Identifiers

Registration numbers

MDL Number

EC Number

Beilstein Number

CAS Number