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
    5.3207   -0.0453    0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -0.0319    0.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543   -0.0053   -0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7643    0.0072   -1.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6922    0.0084   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946   -0.0035    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4387    0.0097    0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1191   -0.0042    1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868    0.0071    1.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2409    0.0335    0.3804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6013    0.0477   -0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2023    0.0357   -0.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7340    0.0467    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7040    0.7175    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6354   -1.0532    0.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7434    0.1084   -0.7474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1925    0.0289   -1.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5268   -0.0246    1.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5193   -0.0249    2.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9993   -0.0041    2.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024    0.0682   -1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7497    0.0480   -1.8974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1439    1.0160    0.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0917   -0.2015    1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1082   -0.7846   -0.2192 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