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
   -5.5780   -0.4163    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1974   -0.6613   -0.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904    0.1228    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4920    1.1247    1.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7697   -0.1547    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8224    0.6139    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5871    0.3611    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0427   -0.6939   -0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058   -0.9223   -0.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3106   -0.0487   -0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8589    1.0120    0.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5212    1.2411    0.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7512   -0.3125   -0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1258   -0.1610   -0.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9868   -1.3688    0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7180    0.3507    0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5582   -1.0097   -0.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1365    1.4749    1.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527   -1.3940   -0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836   -1.7664   -1.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943    1.6839    1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1583    2.0834    1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9918   -1.3279    0.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164   -0.3044   -1.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4007    0.4732    0.0668 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