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
    3.6574    1.2030   -0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9247    1.3933    0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    0.7560    1.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8849    0.9065    2.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459   -0.0427    0.0049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0828   -0.6919    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2521   -1.9642    0.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4962   -2.5945    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052   -1.9522    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386   -0.6743   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2050   -0.0596   -0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0418    1.2949   -1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0467    1.8822   -1.0444 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669    1.9406   -1.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107    1.6641   -0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2966    0.5752   -0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    2.0142    1.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6133   -2.4727    0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6243   -3.5957    0.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5977   -2.3836    0.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202   -0.1654   -0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2344    2.9668   -1.4537 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