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
    5.2981   -0.0281    0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768   -0.0662    0.3358 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299    1.0025   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7408    2.0388   -0.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.9500   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844   -0.1041    0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4567   -0.1704    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1925    0.8821   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5793    0.7908   -0.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092   -0.3478   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -1.4214    0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1118   -1.3210    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6851   -0.4426   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6925    0.9815    0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7574   -0.8180   -0.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5704   -0.2690    1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1623    1.8253   -0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4981   -0.9996    0.5365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7533    1.8275   -0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1451    1.6419   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0120   -2.3173    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506   -2.1759    0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9767   -1.0364   -0.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1798    0.5330   -0.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0447   -0.9555    0.8317 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