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
    5.5513    0.5149   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1971    0.8927   -0.4108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156   -0.0745   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5789   -1.2711   -0.1777 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    0.3033   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830   -0.6341   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5392   -0.3589   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -1.4421    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7767   -1.2350    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3396    0.0233    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834    1.0890   -0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0942    0.8933   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8060    0.2440    0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9769    0.3609    0.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1058    1.3808   -0.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7480   -0.3878   -1.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4879    1.3339   -0.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2526   -1.6706   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0217   -2.4515    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4709   -2.0687    0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8502    2.1067   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4439    1.7431   -0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3127   -0.7620    0.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1986    0.7964   -0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0320    0.6739    1.1645 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