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
    4.8464   -0.1601    0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8789    0.4386   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5055    0.0981    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168   -0.7345    1.1467 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721    0.7146   -0.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1321    0.4550   -0.1724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6486    1.1332    0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9859    0.8467    0.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5629   -0.1555    0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8264   -0.8668   -0.7077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4807   -0.5470   -0.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0145   -0.4543    0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524   -0.8950    1.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8823    0.0611    0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1336    1.1588   -0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969    1.9133    1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    1.3883    1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3129   -1.6466   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0562   -1.1232   -1.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3101   -1.2779   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6585    0.4103    0.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1877   -0.7571    1.5105 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