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
   -3.5162   -0.3521   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5520    0.4760   -0.5810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1694    0.2351   -0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7366   -0.8768    0.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -1.0830    0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445   -0.1678    0.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    0.9401   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372    1.1676   -0.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9627   -0.3757    0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612   -1.3954    1.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9322    0.5320    0.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5620   -0.0985   -0.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3225   -1.2578    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479    1.3895   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288   -1.6433    0.7308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031   -1.9604    1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8124    1.6702   -0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5813    2.0437   -1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7391    0.7565    0.7013 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