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
    2.0427   -0.2050   -4.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -0.0695   -2.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134   -0.0510   -1.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152    0.0784   -0.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471   -0.1725   -1.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1108   -0.1486   -0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3787   -1.2403    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0416   -1.1212    1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600    0.1144    2.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1796    1.2213    1.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5200    1.1051    0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1662    0.2507    3.3374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932   -0.2178   -4.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9773   -0.3022   -4.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359    0.0299   -2.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790   -2.2016    0.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2560   -1.9841    2.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5057    2.1878    1.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207    1.9770   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191   -0.1373    3.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082    1.2818    3.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3953    4.0910 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