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
    5.1177   -0.1406    1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7331   -0.1063    0.7744 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109    1.0681    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8471    2.0660    0.1954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    1.0686    0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -0.0301    0.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377   -0.1732   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730   -1.3790    0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138   -1.5250   -0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1706   -0.4667   -0.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107    0.7418   -0.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    0.8876   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6183   -0.5641   -0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726   -0.8575    1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7302   -0.4596    0.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3866    0.8959    1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    1.9584   -0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4851   -0.9579    0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113   -2.2523    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9004   -2.4769    0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0626    1.6023   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202    1.8378   -0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1140    0.2320   -0.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8660   -0.3669   -1.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0056   -1.5343   -0.4397 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