Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
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

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.5084   -0.3569    1.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4455   -0.7715    2.5543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1246   -0.7812    1.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -1.1683    2.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9531   -0.3469    0.6664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -0.3023   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409   -1.3009   -0.7834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738   -1.1774   -1.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6710    0.0017   -1.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839    1.0334   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0329    0.8696    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9489    0.1838   -1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4606   -0.7230   -2.7101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7129    1.4396   -1.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -0.0041    0.8734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4908   -0.3527    2.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5822   -1.1144    3.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -2.2123   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3979   -1.9594   -2.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124    1.9631   -0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877    1.7076    0.6783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831    1.5506   -2.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2527    1.4749   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0694    2.3472   -1.9200 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
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers