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
   -4.8123    0.7133   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897   -0.1216    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4881    0.1617   -0.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1423    1.1865   -0.6845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5129   -0.6945    0.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -0.5173    0.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472    0.1888    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055    0.3888    1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020   -0.0941   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789   -0.7976   -1.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218   -1.0005   -0.8841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0633    0.1176   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8540    0.5153   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5711    1.6108   -0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1514   -0.9967    0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0251    0.5818    2.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868    0.9446    1.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4144   -1.1825   -1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0580   -1.5543   -1.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4087   -0.4840   -1.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1974    1.1902   -0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5841   -0.1563    0.6842 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