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
    4.8162    0.1573   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354   -0.1478    0.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519    0.0113    0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1933    0.4364   -0.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3689   -0.2825    1.1458 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0636   -0.1179    0.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5075   -1.2090    0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.1530   -0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5390    0.0090   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9336    1.0793    0.3521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6533    1.0428    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9372    0.1079   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973    0.5231   -1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8370    0.0476    0.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0843   -0.5059    1.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0098   -2.1525   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2916   -1.9762   -0.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4972    1.9812    0.4633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630    1.8633    1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812    0.6288   -1.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6105    0.5752   -0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3309   -0.9184   -0.9575 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