CAS 32723-67-4|3-Methyl-p-anisaldehyde|4-Methoxy-3-methylbenzladehyde|3-methyl-4-methoxybenzaldehyde|4-methoxy-3-methylbenzaldehyde|4-Methoxy-3-methylbenzaldehyde|4-甲氧基-3-甲基苯甲醛|3-甲基-对茴香...

General Information

Structure

Molecular Formula

C₉H₁₀O₂

Molecular Mass

150.1745

Exact Mass

150.06807956

Charge

InChI

InChI=1S/C9H10O2/c1-7-5-8(6-10)3-4-9(7)11-2/h3-6H,1-2H3

InChIKey

MYLBIQHZWFWSMH-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccc(c(c1)C)OC

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0414982

LogD (pH = 7.4)

2.0414982

Log P

2.0414982

Molar Refractivity

44.1464

Polarizability

16.501444

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-Methyl-p-anisaldehyde4-Methoxy-3-methylbenzladehyde4-Methoxy-3-methylbenzaldehyde4-甲氧基-3-甲基苯甲醛3-甲基-对茴香醛3-Methyl-p-anisaldehyde3-甲基-对茴香醛4-甲氧基-3-甲基苯甲醛4-Methoxy-3-methylbenzaldehyde4-Methoxy-3-methylbenzaldehyde3-methyl-4-methoxybenzaldehyde

IUPAC Traditional name

3-methyl-4-methoxybenzaldehyde

IUPAC name

4-methoxy-3-methylbenzaldehyde

Names and Identifiers

Registration numbers

Beilstein Number

2084045

CAS Number

32723-67-4

PubChem SID

2484920116205486124884314