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
   -5.5665   -0.7371   -0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1831   -0.9953    0.0466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101   -0.0722   -0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6408    1.0280   -0.7696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.3220   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789    0.5633   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5325    0.3956   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4115    1.3957   -0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7766    1.2829   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3231    0.1163   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777   -0.9020    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971   -0.7482    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7866   -0.0043    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0780   -0.5215    0.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9972   -1.6829   -0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7571    0.0511   -0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4752   -1.2641    0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440    1.5173   -0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197    2.3284   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4355    2.0850   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8672   -1.8316    0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4873   -1.5681    0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2836    0.9852    0.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0740   -0.5524    0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2448   -0.5473   -0.7744 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