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
   -3.5680   -0.3933   -0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6180    0.4957   -0.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1983    0.2614   -0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -0.9414    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617   -1.1189    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5730   -0.1236    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0867    1.0896   -0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606    1.2634   -0.4693 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0074   -0.3416    0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3717   -1.4705    0.8038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9475    0.6409    0.1465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3288   -1.3794    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6059   -0.1095   -0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8984    1.5021   -0.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4004   -1.7510    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9637   -2.1024    0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991    1.8788   -0.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6468    2.2243   -0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    0.3753   -0.2772 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