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
    4.7260   -0.7235   -0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8071   -0.1523    0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4187   -0.2842    0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590   -0.9145   -0.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4264    0.2981    0.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0969    0.1748    0.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964   -0.8694    0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0203   -0.9851    0.6106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037    0.0005   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    1.0548   -0.6629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4047    1.1511   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9261   -0.0944   -0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892   -1.2770   -1.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7652   -0.6408    0.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398    0.4015    1.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2679   -1.6278    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627   -1.7986    0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157    1.8257   -1.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2162    1.9803   -0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5411   -0.2020    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1935    0.7969   -1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9919   -0.9980   -1.3091 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