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
    4.7124   -0.1368   -1.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8748   -0.3665   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4493   -0.2082   -0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    0.1423   -1.4031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972   -0.4298    0.7213 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1631   -0.2567    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051    0.9838    0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7385    1.2286    0.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5499    0.2179   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9524   -1.0121   -0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307   -1.2725   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9831    0.4542   -0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    0.1622   -1.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825   -0.2519   -0.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2606   -0.6739    0.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080    1.8095    0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853    2.2212    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5815   -1.8088   -0.7254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2139   -2.2810   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3318   -0.2009   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1832    1.5192   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5712    0.1602    0.4122 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