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
    4.5859    1.2552    1.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8287    0.1858    0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    0.3502    0.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8906    1.4592    0.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -0.7273    0.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -0.5983   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -0.5590   -1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5907   -0.4268   -1.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230   -0.3279   -0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393   -0.3671    0.6932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805   -0.4996    0.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9773   -0.1862   -0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1893    2.2672    0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6254    1.2040    1.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813   -0.7769    1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4793   -0.6349   -2.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.3968   -2.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7666   -0.2898    1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3478   -0.5255    2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3044    0.8695   -0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1674   -0.5581   -1.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5453   -0.7169   -0.1147 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