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
    5.0212    0.0044   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -0.9994    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8502   -0.9346    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1987   -1.9000    0.5724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371    0.1731   -0.3055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7532    0.1844   -0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622    0.6385    0.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3229    0.6367    0.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    0.1692   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -0.2892   -1.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027   -0.2806   -1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096    0.1604   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1609   -0.2674   -1.0536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2624    0.6458    1.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803    0.9249   -0.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0987   -0.0508   -0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8222   -1.8836    0.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056    1.0072    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8663    0.9931    1.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -0.6535   -2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048   -0.6487   -2.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3131    0.3103    1.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3043    1.7679    1.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7662    0.2920    2.0425 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