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
    5.1925    0.3204   -0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895    0.2369   -0.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1847   -0.9794   -0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9342   -1.9743    0.0467 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7438   -1.0305   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    0.0556   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4284    0.1065   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057    1.3068   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4756    1.4114   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087    0.2657    0.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5926   -0.9506    0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2088   -1.0132    0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7001    0.3017    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5970   -0.2749   -1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4342    1.3938   -0.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6493    0.0942    0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2807   -1.9676    0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156    1.0264   -0.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5234    2.2041   -0.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942    2.3348   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1402   -1.8315    0.4183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7126   -1.9541    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    0.9841   -0.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0173    0.6457    1.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1139   -0.7118   -0.0860 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