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
   -3.2839    0.8994   -1.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6895   -0.0968   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543   -0.1189   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4104    0.8816   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9582    0.7610   -0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5307   -0.3034    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6776   -1.3034    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -1.2208    0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799   -0.3862    0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4953   -1.3666    1.1012 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8277    0.6244    0.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7281    1.7286   -1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3558    0.9065   -1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2791   -0.9522   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    1.7513   -1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009    1.5702   -0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559   -2.1838    1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3556   -2.0047    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163    0.8137    0.5669 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