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
    2.9609   -0.4682   -2.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    0.0774   -2.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2981    1.2538   -2.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    1.8265   -3.5451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2538    1.9674   -1.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4999    1.7945   -0.8477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841    0.7876    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5968    1.0688    1.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513    0.1621    2.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2479   -1.0696    2.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -1.3655    1.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0988   -0.4394    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497   -2.0315    3.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -1.5416   -3.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0121    0.0861   -3.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8957   -0.3184   -2.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0019    2.9777   -2.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2330    2.6976   -0.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0869    2.0370    1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635    0.4098    3.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419   -2.3163    1.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837   -0.7201   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8567   -1.5089    4.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3250   -2.7417    3.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6419   -2.6253    3.6493 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