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
    5.6126    0.0122    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300   -0.1890   -0.3207 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124    0.2290    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591    0.8070    1.5639 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8143   -0.0109    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    0.3779    0.8540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5834    0.1782    0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9972   -0.4473   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3360   -0.6252   -0.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3247   -0.1859   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8879    0.4373    1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701    0.6264    1.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7675   -0.3778   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0304    0.8694   -0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1603   -0.8882   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7506    0.1222    1.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5945   -0.5137   -0.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0638    0.8859    1.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870   -0.8234   -1.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252   -1.1218   -1.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6658    0.7832    1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598    1.1256    2.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3463    0.0721    0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0722    0.1132   -1.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0311   -1.4564   -0.3682 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