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
    5.2953    0.5291    0.5555 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2341   -0.0474    1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9017    0.0785    0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6936    0.7680   -0.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7887   -0.5268    1.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5233   -0.4231    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1157   -1.3553   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1274   -1.3134   -0.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389   -0.3374   -0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6484    0.5971    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3798    0.5564    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3642   -0.3244   -1.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708   -1.1978   -2.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3514    0.7159   -0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1665    1.1211   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2799    0.4383    0.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -0.6386    1.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8021   -2.1400   -0.6813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380   -2.0623   -1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3453    1.3872    0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0715    1.2902    1.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2855    0.8916    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0799    1.6391   -1.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3766    0.3540   -1.1099 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