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
    4.8260    0.2733    0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8651   -0.2256   -0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -0.0413   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1769    0.6081    0.9173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4205   -0.5412   -0.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0884   -0.3591   -0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5707    0.7497   -0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8974    0.9542   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5850    0.0616    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -1.0341    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5603   -1.2642    0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0134    0.2761    0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5490    0.8349    1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8689    0.1508    0.0312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548   -0.7803   -1.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0476    1.4634   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4140    1.8160   -1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720   -1.7646    1.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096   -2.1138    0.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2874    1.3512    0.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6421   -0.3094   -0.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1550   -0.1055    1.5530 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