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
   -4.9940    0.8429    0.8322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2303   -0.1171    0.1333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844   -0.0300    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014    0.9342    0.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0376   -1.0063   -0.5641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080   -1.2513   -0.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762   -0.7232   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6801    0.2690    0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9533    0.8012    0.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0279    0.2905    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -0.7126   -0.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147   -1.2070   -1.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3852    0.8208    0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4785    0.3260    1.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3770    1.6533    1.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8197    1.2253    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7057   -1.8028   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6594   -2.2132   -1.4316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1037    0.7063    1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    1.5911    1.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036   -1.1446   -1.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5182   -2.0129   -1.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3673    1.4422    1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7036    1.3926   -0.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0533   -0.0743    0.5561 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