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
    4.4394    0.3030   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8703   -0.8674   -0.4123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353   -0.9753   -0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8807   -2.0816   -0.0011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744    0.1524   -0.2474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2965    0.1949   -0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2645    0.3588    1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329    0.4020    1.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5061    0.2830    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534    0.1190   -0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    0.0765   -1.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9820    0.3269    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8903    1.2321   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5075    0.3788   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4426   -1.7822   -0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061    0.4537    2.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791    0.5304    2.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6351    0.0228   -1.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -0.0528   -2.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3316   -0.7046    0.7597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2414    0.9544    1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    0.6753   -0.4291 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