CAS 7345-82-6|CAS 7461-60-1|(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid|(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid|(E)-3-(2,3-dimethoxyphenyl)acrylic acid|(2E)-3-(2,3-Dimethoxyphenyl)acrylic ac...

General Information

Structure

Molecular Formula

C₁₁H₁₂O₄

Molecular Mass

208.21058

Exact Mass

208.07355886

Charge

InChI

InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+

InChIKey

QAXPUWGAGVERSJ-VOTSOKGWSA-N

Canonic Smiles

COc1c(/C=C/C(=O)O)cccc1OC

Isomeric Smiles

C(=C\C(=O)O)/c1c(c(OC)ccc1)OC

Calculated Properties

JChem

Acid pKa

3.9013689

H Acceptors

H Donor

LogD (pH = 5.5)

0.21636795

LogD (pH = 7.4)

-1.3921397

Log P

1.8207437

Molar Refractivity

55.9863

Polarizability

21.253546

Polar Surface Area

55.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid 3-(2,3-dimethoxyphenyl)prop-2-enoic acid

IUPAC Traditional name

(2E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid 3-(2,3-dimethoxyphenyl)prop-2-enoic acid

Synonyms

(E)-3-(2,3-dimethoxyphenyl)acrylic acid(2E)-3-(2,3-Dimethoxyphenyl)acrylic acidtrans-2,3-Dimethoxycinnamic acid反式-2,3-二甲氧基肉桂酸3-(2,3-dimethoxyphenyl)acrylic acid2,3-DIMETHOXYCINNAMIC ACID2,3-Dimethoxycinnamic acid, predominantly trans2,3-二甲氧基肉桂酸, 主体成分为反式

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

MDL Number

PubChem CID

EC Number