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
   -3.5028    0.3331   -0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6295   -0.6258    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2042   -0.3580   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3347   -1.4475    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0195   -1.2373   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5944    0.0113   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7072    1.0637   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6644    0.9061   -0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0346    0.1769   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563   -0.8489   -0.1038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6808    1.3914   -0.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2178    1.3555   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5564    0.0986    0.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9583   -1.6561    0.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7616   -2.4347    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6609   -2.1232    0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038    2.0656   -0.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3258    1.7602   -0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5979    1.5692    0.2030 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