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
    4.8383    0.6518   -0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8491   -0.1842   -0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553    0.1350   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.2106    0.2238 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4602   -0.7467   -0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1089   -0.5081   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7153    0.1293   -1.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0497    0.3650   -1.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650   -0.0579    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7510   -0.6961    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4064   -0.9261    0.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0011    0.1929    0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5899    1.5791    0.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8470    0.4183   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0938   -1.1243   -1.1346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    0.4688   -2.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6578    0.8656   -1.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1237   -1.0359    2.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2558   -1.4235    1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1538    0.0260    1.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6304   -0.5648   -0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3112    1.2250    0.2161 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