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
    4.7056    0.6115    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -0.3239    0.4118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320   -0.0459    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319    1.1312    0.4425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946   -1.0100   -0.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1414   -0.6435   -0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -0.7224    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9642   -0.3668    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5455    0.0572   -0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7425    0.1219   -1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3928   -0.2263   -1.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906    0.4244   -0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3788    1.6278    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7589    0.4218    0.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159   -1.3314    0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951   -1.0537    1.9032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -0.4331    1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1494    0.4467   -2.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317   -0.1709   -2.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458   -0.0657   -1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345    1.5240   -0.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4701    0.0271    0.5785 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