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
    4.5340    0.1860   -0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9103    0.4906    0.5761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4674    0.3991    0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8595    0.6912    1.7549 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6760   -0.0170   -0.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2882   -0.1069   -0.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964    0.9810   -0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758    0.9503   -0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246   -0.1949   -0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473   -1.2891    0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3592   -1.2521    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0134   -0.2813    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9553   -0.1400   -1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064    0.2621   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4688    0.8182    1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0092    1.8989   -0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4994    1.8023   -0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2482   -2.1821    0.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -2.1096    0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4582   -0.8269   -0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3132   -0.8089    0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4681    0.7290    0.0682 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