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
   -5.0121    0.8529   -0.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2259   -0.2827   -0.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -0.1013   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4817    1.0818   -0.4585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0048   -1.2475   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -1.4920    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712   -0.8106    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552   -1.5277    0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8927   -0.9506    0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0246    0.3975    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9255    1.1456    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6534    0.5228    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3833    1.0246    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4082    1.2228    0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8272    0.6328   -1.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4072    1.6606   -1.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568   -2.2199    0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6345   -2.6373    0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5749   -2.5888    0.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835   -1.5564    0.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9831    2.2125   -0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1789    1.1609   -0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895    2.0466    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.3892    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7806    1.0641   -0.5607 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