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
    5.0141   -1.0970   -0.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499   -0.7933   -0.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1173    0.4441   -0.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599    1.3194   -1.3621 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6808    0.6852   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363   -0.2602   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4512   -0.0623    0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0513    1.1380   -0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    1.3071    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037    0.2629    0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854   -0.9531    1.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1631   -1.1258    0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5499    0.4144    1.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3844   -0.5638   -1.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5851   -0.8251    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0535   -2.2098   -0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3508    1.6783   -0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3958   -1.2179    0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5329    2.0106   -0.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745    2.2690    0.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0827   -1.7381    1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6595   -2.0826    0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0055   -0.5912    1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0381    0.9792    0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6235    1.0121    2.0645 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