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
    4.8147   -0.3733   -0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8983   -0.2172    0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4893   -0.1523   -0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -0.2384   -1.2433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5617    0.0068    0.9304 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930    0.0829    0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556    1.2809    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    1.3314    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773    0.1698    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9529   -1.0313    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5884   -1.0534    0.7128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0474    0.1725    0.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8614   -0.4268   -0.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -0.4487   -1.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -0.1443    1.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900    2.2088    0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3520    2.2509    0.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5567   -1.9418    0.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1346   -2.0203    0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3712    1.0496   -0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5311    0.2854    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3927   -0.7911   -0.3525 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