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
   -3.4597    0.5028    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6476   -0.4562    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2053   -0.3329    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6150    0.8488    0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733    0.9483    0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5775   -0.0847   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9612   -1.2600   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4183   -1.3873   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315    0.0183   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7141   -0.9333   -0.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6912    1.1867    0.2352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5444    0.3292    0.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1436    1.4791    0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137   -1.4103   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1463    1.7211    0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453    1.8677    0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -2.0760   -0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8489   -2.3363   -0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5876    1.3750   -0.1679 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