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
    4.4771    0.4227    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8343   -0.4699   -0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3910   -0.5495   -0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8125   -1.3900   -1.2495 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670    0.2953    0.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2977    0.2164    0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3338   -0.6163    1.1923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7169   -0.6936    1.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    0.0651    0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412    0.9017   -0.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    0.9688   -0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9590   -0.0050    0.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9058    1.0850    0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5356    0.5058    0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4295   -1.1325   -1.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -1.2370    1.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312   -1.3493    1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    1.4785   -1.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031    1.6445   -1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3990    0.8209    0.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3033   -0.9529    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3593   -0.0087   -0.6892 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