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
    5.1095   -0.8024    0.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331   -0.5671    0.4436 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617    0.1486   -0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0548    0.6097   -1.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    0.3298   -0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9912   -0.1593    0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -0.0228    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2468   -0.5691    1.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6088   -0.4188    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1973    0.2786    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4470    0.8356   -0.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0564    0.6665   -0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6904    0.3913    0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499    0.1242    0.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3476   -1.0243    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4378   -1.6591    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4653    0.8902   -1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329   -0.7114    1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672   -1.1110    1.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424   -0.8520    1.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9087    1.3793   -1.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058    1.1274   -1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0260    1.3534   -0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0672   -0.4903   -0.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0692    0.2532    1.1151 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