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
   -5.2354    0.0959    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8247    0.0996    0.4909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238   -1.0875    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8263   -2.1187    0.1051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782   -1.0914    0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9900    0.0128    0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4540    0.1257    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676    1.3447    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4543    1.4654    0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246    0.3637   -0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6195   -0.8606   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2218   -0.9770   -0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7035    0.5276   -0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7323    0.1751   -0.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5859   -0.7818    1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4858    0.9996    1.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1751   -2.0150   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5833    0.9286    0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4285    2.1941    0.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8859    2.4339    0.3215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209   -1.7320   -0.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8028   -1.9683   -0.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060    0.9446   -1.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2509   -0.3979    0.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003    1.3188    0.5645 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