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
    4.8108    0.2512    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314   -0.6293    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4383   -0.2062    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1650    1.0368    0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3925   -1.1186    0.0485 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0835   -0.6646    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5758   -0.4288    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8983    0.0301    1.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225    0.2394    0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8608    0.0027   -1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454   -0.4537   -1.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310    0.7279    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5688    1.2878    0.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283   -0.1057    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0287   -1.6927    0.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -0.5900    2.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    0.2160    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3955    0.1826   -2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967   -0.6151   -2.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5190    0.0768    0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3545    0.7190   -0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9350    1.7344    0.4853 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