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
    4.6698   -0.8350   -1.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -0.3278   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4604   -0.2819   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8824   -0.7543   -1.3952 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438    0.2370    0.6063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2566    0.2862    0.5354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378    1.3485   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8352    1.3640   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5498    0.3018    0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8776   -0.7813    0.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4980   -0.7605    1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0502    0.2719    0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7277   -0.8598   -1.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326   -1.2494   -2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826    0.0740    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1054    2.1897   -0.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802    2.1930   -0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4752   -1.6002    1.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -1.6301    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4321   -0.5196    1.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4026    1.2899    0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3259    0.0438   -0.6465 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