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
    3.4771    0.7251   -0.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685   -0.2315   -0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2347   -0.1910   -0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416   -1.2459   -0.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223   -1.2361   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -0.2012    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8059    0.8459    0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    0.8199    0.3796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0308   -0.2251    0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -1.1877   -0.1354 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6580    0.8174    0.9339 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1405    1.6033    0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.6341   -0.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0661   -1.1143   -0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9184   -2.0876   -1.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5508   -2.0649   -0.8909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2972    1.6644    1.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1612    1.6603    0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6592    1.0148    0.8126 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