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
    3.4256   -0.1712    0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6095    0.6879    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    0.4351    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5677   -0.7454    0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7740   -0.9580    0.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5526    0.0098   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9261    1.1954   -0.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086    1.4086   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9748   -0.2117   -0.6877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7039    0.6323   -1.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5566   -1.4323   -0.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742   -1.1301    1.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4753    0.0865    1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0030    1.6730    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -1.5258    0.9284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -1.8968    0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5147    1.9714   -1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9048    2.3564   -0.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5595   -1.5486   -0.3681 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