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
    5.2612    0.3658   -0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8359    0.2931   -0.2470 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1423   -0.1594    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -0.4903    1.8671 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6718   -0.2476    0.8525 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1063   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4523    0.0289   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2397   -0.4052    0.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273   -0.4701    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270   -0.0737   -0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456    0.3622   -1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    0.4293   -1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7079   -0.1380   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6097    1.0611    0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6521    0.7686   -1.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6558   -0.6596   -0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308   -0.6137    1.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5302    0.4585   -1.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502   -0.7179    1.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1969   -0.8222    1.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9304    0.6743   -2.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813    0.7822   -2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0518   -1.1321   -0.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1337   -0.0555    0.4942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0711    0.6548   -1.1932 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