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
    4.5632    0.1290   -0.3281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652    0.5638    0.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4088    0.4843    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    0.9104    1.7087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715   -0.0589   -0.3220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2568   -0.1148   -0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590   -1.2128    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318   -1.2411    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344   -0.2127   -0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8701    0.8641   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5088    0.9217   -0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0027   -0.3073    0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0616   -0.3029   -1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6268    0.2013   -0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3857    0.9960    1.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2593   -2.0360    0.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2165   -2.1280    0.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4790    1.6940   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0114    1.7982   -1.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4239    0.6730   -0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3873   -1.0985   -0.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3330   -0.5226    1.0530 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