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
    5.2437    0.4577   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8334    0.3308   -0.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1651   -0.6635   -0.7694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9059   -1.4216   -1.4477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7257   -0.8028   -0.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9965    0.0172   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422   -0.0158    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143    0.8852    0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    0.8519    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2392   -0.0908    0.2999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5726   -0.9877   -0.4827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744   -0.9519   -0.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7025   -0.0790    0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5547    0.6657    0.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5650    1.3413   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7423   -0.4790   -0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2630   -1.5705   -1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944    0.8181    0.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5689    1.6531    1.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0128    1.5806    1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1619   -1.7249   -1.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249   -1.7010   -1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1707    0.5446   -0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9718    0.3542    1.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1325   -1.0988    0.3172 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