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
    5.2230   -0.7204   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3583   -0.3324    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435   -0.1971   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381   -0.4503   -1.2712 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0001    0.2033    0.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521    0.3438    0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1850   -0.7385    0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5436   -0.6462    0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0981    0.5206    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2472    1.6105   -0.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006    1.5239    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5265    0.6188   -0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0523    1.6686   -0.6466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -0.5703   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8507   -0.9375   -1.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -0.8361   -0.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7552   -0.1273    1.2014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2084   -1.6905    1.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1454   -1.5116    0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6785    2.5330   -0.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7701    2.3579   -0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4179   -0.2317    0.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1169   -1.1040    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2835   -1.2867   -0.8890 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