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
    3.4564    0.3541    0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   -0.5891    0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071   -0.3637    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3801   -1.4093   -0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685   -1.2292   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801   -0.0163   -0.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7943    1.0271    0.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5847    0.8399    0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0030    0.1713   -0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6971   -0.7992   -0.7648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5716    1.3950   -0.1273 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5094    0.1384    0.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1201    1.3459    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290   -1.5869    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665   -2.3602   -0.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5789   -2.0559   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2171    2.0017    0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1668    1.6887    0.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5455    1.4480    0.1994 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