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
   -5.2504    0.5599   -0.0506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217    0.4204   -0.0325 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2196   -0.8189   -0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9433   -1.8381   -0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7737   -0.9483   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9994    0.1248    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350    0.0709    0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1586   -1.0945   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5546   -1.0766    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.1005    0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5595    1.2703    0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785    1.2428    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7444    0.1482    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5088    1.1137    0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5706    1.1033   -0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7349   -0.4419   -0.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645   -1.9483   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986    1.1021    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6402   -2.0445   -0.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1148   -1.9907   -0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0409    2.2457    0.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021    2.1734    0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    0.5941    1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1378   -0.8690   -0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1260    0.8008   -0.7159 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