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
    4.7929   -0.1980   -0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8029   -0.9063   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -0.3835   -0.4711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1766    0.7268   -0.9999 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3551   -1.0840    0.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0570   -0.5975   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7969   -0.8582   -1.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0823   -0.3487   -1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093    0.4319    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6758    0.7083    1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904    0.1796    1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101    0.9551   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6137    0.7751   -1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8186   -0.5394   -0.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0413   -1.8548    0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4358   -1.4667   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7644   -0.5465   -1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0169    1.3167    1.8947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2722    0.3880    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0879    1.5636   -0.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6425    0.1296    0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0630    1.6092    0.8321 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