Monomers

Acryloylsalicylic Acid

Identifiers

IUPAC name
2-prop-2-enoyloxybenzoic acid
InchI
InChI=1S/C10H8O4/c1-2-9(11)14-8-6-4-3-5-7(8)10(12)13/h2-6H,1H2,(H,12,13)
InchI Key
ZKFOEDSYSPDTEB-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccccc1C(=O)O
Canonical SMILES
C=CC(=O)OC1=CC=CC=C1C(=O)O
Isomeric SMILES
C=CC(=O)OC1=CC=CC=C1C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H8O4
Heavy Atom Count
14
Molecular Weight
192.17
Exact Molecular Weight
192.0423
Valence Electrons
72
Radical Electrons
0
tPSA
63.6
MolLogP
1.4762
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.7394   -0.2002    1.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    0.7571    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    0.6415   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5590   -0.8335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0302   -0.4480    0.1293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2659   -0.4977   -0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299   -1.0730   -1.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925   -1.1678   -2.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7686   -0.6705   -1.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5790   -0.1000   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3424   -0.0069    0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    0.5887    1.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    0.6579    2.1279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1516    1.1058    2.3887 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7408   -0.1013    1.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1515   -1.0751    1.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789    1.6255    0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120   -1.4595   -2.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003   -1.6163   -3.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7382   -0.7558   -1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4501    0.2750    0.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623    1.9614    2.9320 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
 11 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
  9 20  1  0
 10 21  1  0
 14 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers