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
    5.2017   -0.1454    1.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7906   -0.0940    0.8780 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2889   -0.4046   -0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014   -0.7293   -1.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8374   -0.3520   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -0.0163    0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4526    0.0504    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3139    0.4187    1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770    0.4856    0.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2668    0.1971   -0.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4329   -0.1667   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -0.2357   -1.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7466    0.2789   -0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4257   -0.9464    1.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5569    0.8329    1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7755   -0.3078    0.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -0.6041   -1.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3669    0.2266    1.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446    0.6484    2.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3382    0.7701    1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8799   -0.3989   -2.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4542   -0.5257   -1.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9767    0.1086   -1.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1298    1.3100   -0.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2832   -0.4007    0.2023 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