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
    5.1539    0.3059    0.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -0.5818    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8761   -0.2694    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4811    0.8785    0.7231 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990   -1.1339   -0.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801   -0.7434   -0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536   -0.1184   -1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816    0.2408   -1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0701   -0.0343    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4615   -0.6640    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -1.0036    1.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4716    0.3424    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1295    0.1083    1.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1635    1.0160   -0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    1.2637    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1972    0.0594    0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065   -1.5641   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080    0.0795   -2.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8657    0.7406   -1.8931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0364   -0.8582    2.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507   -1.5026    1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8855    0.4637   -1.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2563    0.9108   -0.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8416    2.0640   -1.0348 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