Monomers

Methyl (2E)-3-(4-methylphenyl)propenoate

Identifiers

IUPAC name
methyl 3-(4-methylphenyl)prop-2-enoate
InchI
InChI=1S/C11H12O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-8H,1-2H3
InchI Key
WLJBRXRCJNSDHT-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)C=CC(=O)OC
Isomeric SMILES
CC1=CC=C(C=C1)C=CC(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.1812
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
    5.5899   -0.6196   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2048   -0.9626   -0.3517 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2191   -0.0334   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054    1.1238    0.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7971   -0.3501   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9181    0.5794    0.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    0.3799    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1253   -0.8197   -0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5029   -0.9654   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522    0.0728    0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    1.2817    0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3963    1.4204    0.4919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8369   -0.1050    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7789    0.0775   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8769   -0.1739    0.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1904   -1.5320   -0.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882   -1.3554   -0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808    1.5624    0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4929   -1.6729   -0.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734   -1.9197   -0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4242    2.0995    0.7467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291    2.3838    0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2646    0.0847    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3122    0.5975   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0473   -1.1537   -0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 10 13  1  0
 12  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
  9 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 13 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers