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
   -4.7405   -0.2569    1.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0794   -0.8930    0.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881   -0.5775    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795    0.2405    1.4448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9809   -1.1951   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085   -1.1644   -0.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4376   -0.5163   -0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7141    0.1966    0.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208    0.8486    0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097    0.8051   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361    0.0930   -1.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4616   -0.5655   -1.5805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243    1.4997    0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0606   -0.0544    2.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2461    0.6664    1.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5237   -0.9679    2.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6604   -1.9085   -1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6971   -1.8807   -1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0316    0.2682    1.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1051    1.4056    1.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4192    0.0493   -2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896   -1.1130   -2.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9848    0.7835    0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0731    2.2580    0.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573    1.9786   -0.9191 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