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
    5.5663    0.4510   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030    0.7327   -0.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1991   -0.0674    0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5377   -1.0613    0.8420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7952    0.2247   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8770   -0.5674    0.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5514   -0.3600    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856   -1.2249    0.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8449   -1.0626    0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275   -0.0057   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4258    0.8697   -0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454    0.6854   -0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823    0.2327   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9089    0.9105    0.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6742   -0.6548   -0.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1335    0.8588   -0.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5486    1.0897   -0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314   -1.4283    1.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1013   -2.0532    1.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5639   -1.7366    1.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7593    1.7194   -1.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941    1.4056   -0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3521   -0.6957   -0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245    0.6939   -1.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1168    1.0434    0.3629 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