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
    4.7387    0.7655    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8986   -0.2163   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4638    0.0473   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0489    1.1578    0.3632 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954   -0.9082   -0.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1731   -0.6426   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481   -0.1333   -1.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8905    0.1574   -1.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5681   -0.0397    0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8232   -0.5448    1.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4874   -0.8429    1.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256    0.2784    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140    1.7365    0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8048    0.6382   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2434   -1.1696   -0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    0.0454   -2.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4749    0.5588   -1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3020   -0.7251    2.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084   -1.2407    1.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4892    0.0153   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5082   -0.2977    1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1959    1.3604    0.4474 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