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
    4.9868    0.4765    0.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3313   -0.6532    0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8965   -0.6788    0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2671   -1.7566    0.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1350    0.4900    0.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7528    0.4242   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523    0.4262   -1.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0976    0.3621   -1.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9945    0.2933   -0.5636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5243    0.2892    0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    0.3546    0.9580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4422    0.2246   -0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8315    0.2302   -2.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147    0.1507    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    0.4673    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4928    1.4330    0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360   -1.6080    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9494    0.4800   -2.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4779    0.3649   -2.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2419    0.2342    1.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063    0.3514    1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1153    0.8770    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4209    0.4506   -0.0412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4222   -0.8668    0.7146 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