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
    4.9189   -0.4345    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3376    0.3989   -0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.5365   -0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2800    1.3158   -1.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429   -0.2376    0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668   -0.2088    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541   -1.0705   -0.6398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3231   -1.1152   -0.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347   -0.2884    0.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3128    0.5808    1.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    0.6251    0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4919   -0.3277    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0796   -1.1399   -0.5401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3148    0.5324    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4036   -1.0653    0.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0094   -0.4971    0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    1.0256   -1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5613   -1.7464   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457   -1.8167   -1.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8492    1.2530    1.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5665    1.3198    1.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2704    0.0383    1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5544    1.4851    0.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8113    0.8370    2.0298 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