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
   -3.5099   -0.3730   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6421    0.5023    0.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2221    0.2266    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3595    1.2104    0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9750    1.0055    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5702   -0.1717    0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7102   -1.1413   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726   -0.9581   -0.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159   -0.3462    0.0964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5916   -1.3932   -0.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8081    0.6879    0.5664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2395   -1.3406   -0.7502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5718   -0.1572   -0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9914    1.4520    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294    2.1706    0.8329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6842    1.7723    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0859   -2.0863   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150   -1.7699   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8124    0.7098    0.5095 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