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
    5.0414   -0.0072   -0.3632 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492   -0.0346   -1.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011   -0.1120   -1.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850   -0.1357   -2.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1376   -0.1632   -0.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568   -0.2370    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0112    0.9209    0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3665    0.9038    0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0418   -0.2979    0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3133   -1.4631    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0549   -1.4184    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -0.3198    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0726   -1.4376    0.3674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2389    0.9654    0.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090    0.0495   -0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5514   -0.0460    0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7196    0.0031   -2.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    1.8814    0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569    1.8164    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329   -2.4256    0.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373   -2.3463   -0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8683    1.6390    1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1435    1.5371   -0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3148    0.7279    0.4974 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