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
    5.6200    0.1878   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2621    0.5674   -0.3350 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2215   -0.2193    0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830   -1.3121    0.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135    0.1599   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8497   -0.6264    0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5593   -0.3349    0.3435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0420    0.8044   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4189    1.0693   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3209    0.1833    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8620   -0.9768    0.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -1.2224    0.8443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7922    0.4509    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436   -0.8726    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0900    0.7979    0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1645    0.5107   -1.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212    1.0856   -0.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071   -1.5788    0.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3836    1.5434   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7714    1.9801   -0.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5928   -1.6793    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1749   -2.1424    1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619    0.3514   -0.9282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9578    1.5144    0.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3327   -0.2416    0.7672 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