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
    4.5105   -0.3894   -0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403    0.6544    0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883    0.7063    0.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8966    1.6925    0.8435 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626   -0.3005   -0.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2772   -0.2407   -0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805    0.3243   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8728    0.3847   -0.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5425   -0.1170    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7857   -0.6819    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4058   -0.7382    1.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0271   -0.0627    0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5829   -0.5034   -0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9204   -1.2160   -0.7226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5750    1.4414    0.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168    0.7277   -1.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757    0.8310   -1.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2766   -1.0860    1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2092   -1.1805    1.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4484    0.7166   -0.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3755    0.1054    1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3890   -1.0682   -0.1194 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