CAS 7021-09-2|CAS 26164-26-1|CAS 3966-32-3|DL-α-METHOXYPHENYLACETIC ACID|α-甲氧基苯乙酸|α-Methoxyphenylacetic acid|(±)-α-Methoxyphenylacetic acid|DL-α-甲氧基苯乙酸|Methoxy(phenyl)acetic a...

General Information

Structure

Molecular Formula

C₉H₁₀O₃

Molecular Mass

166.1739

Exact Mass

166.06299418

Charge

InChI

InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)

InChIKey

DIWVBIXQCNRCFE-UHFFFAOYSA-N

Canonic Smiles

COC(c1ccccc1)C(=O)O

Isomeric Smiles

OC(=O)C(c1ccccc1)OC

Calculated Properties

JChem

Acid pKa

3.86125

H Acceptors

H Donor

LogD (pH = 5.5)

-0.104102835

LogD (pH = 7.4)

-1.6942174

Log P

1.5389621

Molar Refractivity

43.455

Polarizability

17.063671

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

DL-α-METHOXYPHENYLACETIC ACIDDL-α-甲氧基苯乙酸Methoxy(phenyl)acetic acidα-甲氧基苯乙酸(±)-α-Methoxyphenylacetic acidα-Methoxyphenylacetic acidDL-α-甲氧基苯乙酸O-甲基-DL-扁桃酸MOPA(±)-α-Methoxyphenylacetic acidO-Methyl-DL-mandelic acid(R)-(-)-α-METHOXYPHENYL-ACETIC ACID(S)-(+)-α-METHOXYPHENYL-ACETIC ACID

IUPAC name

2-methoxy-2-phenylacetic acid

IUPAC Traditional name

methoxy(phenyl)acetic acid

Names and Identifiers

Registration numbers

Beilstein Number

2209197

CAS Number

7021-09-226164-26-13966-32-3

PubChem SID

248549672488369316204195424896773