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
    5.6093   -0.2731   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2500   -0.6451   -0.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2254    0.1931    0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5363    1.3046    0.5945 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8006   -0.1973   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8598    0.6377    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5702    0.3498    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5076    1.2849    0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8489    1.0117    0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3351   -0.1628    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190   -1.0915   -0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0553   -0.8294   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8024   -0.4435   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7119    0.7809    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   -0.2903   -1.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1595   -0.9088    0.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445   -1.1476   -0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1428    1.6102    0.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208    2.2069    1.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5765    1.7528    0.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7888   -2.0266   -0.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694   -1.6087   -0.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1089   -1.2486    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3777    0.4859    0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0011   -0.7451   -1.0938 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