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
    4.7908   -0.6619    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -0.6818    0.9410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.3623    0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3099   -0.0711   -0.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3052   -0.3733    1.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364   -0.0713    0.7691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7139   -1.1221    0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006   -0.9006   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    0.3682   -0.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7702    1.4153    0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4937    1.2010    0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8787    0.6319   -0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7128   -0.4097   -0.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7915   -0.8928    0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573   -0.9314    1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3075   -2.1208    0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5702   -1.7226   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1393    2.4179    0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1231    1.9994    1.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8444    1.5033   -1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5297    1.0123    0.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3344   -0.2274   -1.2215 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