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
   -4.3792    0.1459   -1.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8969    0.2588    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4674    0.2228    0.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907    0.3287    1.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5931    0.0732   -0.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2453    0.0481   -0.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3582   -1.1580   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7204   -1.2573   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4678   -0.1062   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9054    1.1171   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347    1.1758   -0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9255   -0.2684    0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7010    0.0288   -2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4469    0.1712   -1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5528    0.3758    0.8498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1868   -2.0919   -0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -2.2222    0.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5064    2.0001   -0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0788    2.1309   -0.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2684   -1.2371   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4926    0.5673   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0309   -0.3035    1.3599 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