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
    4.7783   -0.1148   -0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    0.2703    0.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4644    0.0844    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1047   -0.4305   -1.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    0.4808    0.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1284    0.2842    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5623   -0.8684    0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829   -1.0857    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521   -0.0941   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8773    1.0614   -0.4408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5565    1.2783   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9755   -0.3165   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765   -0.5611   -1.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8197    0.0175   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1886    0.7183    1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0631   -1.6613    1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3860   -2.0305    0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    1.8682   -0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320    2.1900   -0.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3213    0.3866   -1.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1152   -1.3739   -0.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5813   -0.1031    0.4140 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