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
    4.5615    0.2347   -0.1556 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501    0.2356   -1.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2945    0.1575   -1.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6047    0.1651   -2.0986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0771    0.1517 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2704    0.0023    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557    1.1771    0.4243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8387    1.1246    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4693   -0.1037    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7342   -1.2812    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606   -1.2263    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9389   -0.2364    0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6212    0.2937   -0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1918    0.1759    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1852    0.2979   -2.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0437    2.1254    0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4449    2.0087    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023   -2.2515    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2235   -2.1219    0.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3781    0.6169    1.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1551   -1.1693    1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4188   -0.3023   -0.2256 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