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
    5.5517   -0.6931    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898   -0.9635   -0.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2081   -0.0482    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    0.9795    0.7638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8058   -0.3118   -0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8962    0.5352    0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.3598    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860   -0.7328   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4627   -0.8560   -0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3391    0.1020   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8031    1.1978    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4411    1.3132    0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8130   -0.0103   -0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7030   -0.2586    1.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9477    0.0676   -0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1677   -1.5955   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5197   -1.2082   -0.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239    1.4470    0.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454   -1.5054   -0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8851   -1.7242   -1.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5027    1.9469    0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0286    2.1752    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3689    0.5610    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0763   -1.0750   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0307    0.2973   -1.5095 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