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
   -3.3381    0.9530   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532   -0.1152   -0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2281   -0.1437   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000   -1.3596    0.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499   -1.4313    0.5088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5285   -0.2930    0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9005    0.9026    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4582    0.9790   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526   -0.3540    0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4649   -1.4659    1.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    0.7736    0.7684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654    1.9024   -0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4012    0.9355   -0.8303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -1.0635   -0.3106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802   -2.2910    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1913   -2.4072    0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091    1.8039    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8860    1.9639   -0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7755    0.7105    0.6579 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