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
    4.8098   -1.1907   -0.6853 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4183   -0.0082   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978    0.2676   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5612    1.3888    0.2371 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0187   -0.6853   -0.4355 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -0.4022   -0.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1054    0.1083   -1.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611    0.3576   -1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0196    0.0920    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2193   -0.4232    1.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -0.6809    0.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4374    0.3507    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9339    0.1047    1.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2996    0.9044   -0.6740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832   -1.4077   -0.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1522   -1.9996   -0.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1064    0.7810   -0.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3398    0.3160   -2.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0428    0.7613   -1.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6820   -0.6241    2.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7090   -1.0853    1.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3736    0.6803   -0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1604    2.0049   -0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0309    0.3895   -1.6316 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