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
    4.4439    0.2479    0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8506   -0.3340   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4006   -0.2921   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010   -0.8361   -1.4814 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954    0.3255    0.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2353    0.3044    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4091   -0.7901    0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7592   -0.9430    0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588    0.0218    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8476    1.1058   -0.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4882    1.2376   -0.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9370   -0.1383   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5270    0.2323    0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    0.7360    1.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4464   -0.8222   -1.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1503   -1.5580    1.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2600   -1.8056    1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4044    1.8572   -1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0603    2.0641   -0.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3615    0.1614    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2981    0.4387   -0.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1251   -1.2132   -0.2976 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