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
    5.1476   -0.5440    0.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7597   -0.3981    0.6443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380    0.7717    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0372    1.7071   -0.1121 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7896    0.9150   -0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111   -0.0934    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4234   -0.0450   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1091    1.0393   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    0.9816   -0.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2413   -0.1307   -0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619   -1.2153    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963   -1.1687    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7226   -0.1358   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3186   -1.5524    1.3464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4822    0.2121    1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7287   -0.4387   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3773    1.8181   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -1.0001    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5676    1.9453   -0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0037    1.8695   -1.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1161   -2.1048    0.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6573   -2.0351    0.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9249   -0.4257   -1.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1624   -0.8477    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1562    0.8759   -0.3718 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