CAS 2373-79-7|3-(4-Ethoxyphenyl)acrylic acid|(2E)-3-(4-ethoxyphenyl)prop-2-enoic acid|(2E)-3-(4-ethoxyphenyl)prop-2-enoic acid|3-(4-Ethoxyphenyl)acrylic acid|3-(4-Ethoxyphenyl)prop-2-enoic acid|3-(4...

General Information

Structure

Molecular Formula

C₁₁H₁₂O₃

Molecular Mass

192.21118

Exact Mass

192.07864424

Charge

InChI

InChI=1S/C11H12O3/c1-2-14-10-6-3-9(4-7-10)5-8-11(12)13/h3-8H,2H2,1H3,(H,12,13)/b8-5+

InChIKey

DZLOUWYGNATKKZ-VMPITWQZSA-N

Canonic Smiles

CCOc1ccc(cc1)/C=C/C(=O)O

Isomeric Smiles

C(=O)(/C=C/c1ccc(cc1)OCC)O

Calculated Properties

JChem

Acid pKa

3.956345

H Acceptors

H Donor

LogD (pH = 5.5)

0.78378636

LogD (pH = 7.4)

-0.84834856

Log P

2.335223

Molar Refractivity

54.2717

Polarizability

20.551859

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-(4-Ethoxyphenyl)acrylic acid3-(4-Ethoxyphenyl)acrylic acid3-(4-Ethoxyphenyl)prop-2-enoic acid4-Ethoxycinnamic acid4-Ethoxycinnamic acid, prediminantly trans4-乙氧基肉桂酸, 绝大多数为反式4-乙氧基肉桂酸，主要为反式4-Ethoxycinnamic acid, predominantly trans

IUPAC name

(2E)-3-(4-ethoxyphenyl)prop-2-enoic acid 3-(4-ethoxyphenyl)prop-2-enoic acid

IUPAC Traditional name

(2E)-3-(4-ethoxyphenyl)prop-2-enoic acid 3-(4-ethoxyphenyl)prop-2-enoic acid

Names and Identifiers

Registration numbers

CAS Number

2373-79-7

MDL Number

MFCD00016848

PubChem SID

24877582160986939