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
    5.1934    0.5856   -0.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8173    0.4254   -0.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2517    0.5402    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977    0.8046    1.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8256    0.3709    0.8268 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613    0.0932   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4582   -0.0791    0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2751   -0.3733   -0.9850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6342   -0.5561   -0.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2372   -0.4486    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4649   -0.1599    1.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0847    0.0207    1.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7046   -0.6411    0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4341    1.6594   -1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8321    0.2788   -0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5079    0.0307   -1.8474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4514    0.4761    1.8354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3760   -0.0063   -1.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489   -0.4698   -1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2486   -0.7825   -1.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9329   -0.0751    2.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5018    0.2449    2.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0515    0.0795    1.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2317   -0.3303   -0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9741   -1.6876    0.7346 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