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
    5.5931   -0.2731    0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3022    0.2486    0.5080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892   -0.4382    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3816   -1.5446   -0.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8203    0.0253    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040   -0.6737   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799   -0.2644    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6193   -1.0573   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9503   -0.7226   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2989    0.4578    0.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2982    1.2655    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9574    0.9149    0.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7471    0.8279    0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2049   -0.3055    1.2229 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0670    0.3269   -0.5040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -1.3490   -0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7203    0.9853    0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916   -1.6174   -0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3638   -1.9869   -0.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7468   -1.3512   -0.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022    2.1999    1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060    1.5728    1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2796    0.6356   -0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8021    1.9018    0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1661    0.2217    1.2357 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