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
    4.4766   -0.1975   -0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8585   -0.4046    0.8420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4054   -0.3474    0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687   -0.5367    1.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6660   -0.0736   -0.2264 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2802   -0.0180   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429   -1.0942   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169   -1.0226   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868    0.2035   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    1.3200    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156    1.1967    0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9510    0.3257    0.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534   -0.2406   -0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503    0.0184   -1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3833   -0.6208    1.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796   -2.0569   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5674   -1.8753   -0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    2.2860    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2953    2.0885    0.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3351    0.2519    1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4069   -0.5107   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2217    1.3081   -0.3873 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