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
    4.5237   -0.2232    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8553    0.7612   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4063    0.7573   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7486    1.7066   -0.9314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6455   -0.2630    0.1540 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460   -0.2275    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694   -0.8056   -0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7498   -0.7821   -1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5176   -0.2094   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8678    0.3583    1.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4977    0.3522    1.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9911   -0.2072   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0636   -1.0809    0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014   -0.1896    0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745    1.5809   -0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133   -1.2576   -1.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842   -1.2264   -1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4092    0.8334    1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0531    0.7882    1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4327   -0.1182    0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2974   -1.1551   -0.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3143    0.6077   -0.7765 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