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
    5.4814   -0.3058    1.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815   -0.4212    1.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124   -0.0239    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6830    0.4238   -0.6739 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.1357    0.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9216    0.2387   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    0.1449   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3040    0.5760   -1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6647    0.4943   -1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3235    0.0188   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -0.4007    1.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1403   -0.3372    0.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8216   -0.0352    0.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7795   -0.5504    0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7140    0.7854    1.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0536   -0.8587    1.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.5263    1.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312    0.6327   -1.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8428    0.9665   -2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457    0.8418   -1.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118   -0.7799    1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5671   -0.6774    1.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1591   -0.9324   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1726    0.9144   -0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0952   -0.0524    1.1246 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