Monomers

4-Methylphenyl prop-2-enoate

Identifiers

IUPAC name
(4-methylphenyl) prop-2-enoate
InchI
InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InchI Key
OJNXPAPLAAGFBJ-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.0864
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    4.7770    0.6909    0.6397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8950   -0.2804    0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788    0.0370    0.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.2348    0.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4878   -0.8901    0.1863 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525   -0.5997   -0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4139   -0.4573   -1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7587   -0.1653   -1.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776   -0.0072   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0162   -0.1485    0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712   -0.4406    1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0204    0.3064   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167    0.4603    0.7936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4547    1.7183    0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2422   -1.2863    0.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2602   -0.5886   -2.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067   -0.0736   -2.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6794   -0.0198    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2793   -0.5415    2.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1949    1.3663   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5531    0.0517    0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4210   -0.3670   -1.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 11  6  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 11 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers