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
    4.7189    0.9009    0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8812    0.1081   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317    0.1799    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    1.0033    0.9398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397   -0.6380   -0.5428 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914   -0.5178   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4874   -1.2150    0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8428   -1.0494    0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449   -0.1564    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8871    0.5517   -0.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5296    0.3683   -1.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9955   -0.0163    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    1.6324    1.2693 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7748    0.7966    0.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2247   -0.6244   -0.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0968   -1.9124    1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3335   -1.6164    1.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4207    1.2515   -1.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0562    0.9526   -1.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831   -1.0058    0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5082    0.5182   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1367    0.4884    1.3379 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