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
    5.5975    0.4088    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736    0.2268   -0.3799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005    0.2947    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4101    0.5208    1.6892 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180    0.1199    0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093    0.1903    0.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5880    0.0253    0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6018    0.1147    1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322   -0.0393    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3115   -0.2905   -0.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3120   -0.3794   -1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643   -0.2271   -0.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7505   -0.4485   -0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0128   -0.6194    0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6199    0.8992    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2398    0.9101   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -0.0732   -1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    0.3887    1.9344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738    0.3160    2.4983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6837    0.0408    1.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6297   -0.5810   -2.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2604   -0.3160   -1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2449   -1.1203    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3021    0.5016   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8183   -0.8631   -1.4824 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