Monomers

4-Vinylbenzoic acid

Identifiers

IUPAC name
4-ethenylbenzoic acid
InchI
InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)
InchI Key
IRQWEODKXLDORP-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)C(=O)O
Canonical SMILES
C=CC1=CC=C(C=C1)C(=O)O
Isomeric SMILES
C=CC1=CC=C(C=C1)C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
37.3
MolLogP
2.0278
H Bond Acceptors
1
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

 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.5307    0.4579    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393   -0.4872    0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -0.2142    0.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3137   -1.2814    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0259   -1.1068    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770    0.1409   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.1889   -0.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731    1.0265   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0217    0.3123   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    1.4512   -0.4775 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8406   -0.8022   -0.1862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580    1.4763    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5739    0.2184    0.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9789   -1.5228    0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -2.2611    0.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6893   -1.9566    0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    2.1851   -0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3433    1.8882   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -0.7136   -0.3712 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers