Monomers

Sodium 4-vinylbenzoate

Identifiers

IUPAC name
sodium;4-ethenylbenzoate
InchI
InChI=1S/C9H8O2.Na/c1-2-7-3-5-8(6-4-7)9(10)11;/h2-6H,1H2,(H,10,11);/q;+1/p-1
InchI Key
ZPAICLPTNKAJHB-UHFFFAOYSA-M
SMILES
C=Cc1ccc(cc1)C(=O)[O-].[Na+]
Canonical SMILES
C=CC1=CC=C(C=C1)C(=O)[O-].[Na+]
Isomeric SMILES
C=CC1=CC=C(C=C1)C(=O)[O-].[Na+]
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H7NaO2
Heavy Atom Count
12
Molecular Weight
170.143
Exact Molecular Weight
170.0344
Valence Electrons
56
Radical Electrons
0
tPSA
40.13
MolLogP
-2.3029
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
   -3.1666   -0.7335    0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    0.2268    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9809    0.1939    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2559    1.2615   -0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1189    1.2103   -0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395    0.1196   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1440   -0.9399    0.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414   -0.8760    0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2799    0.0918   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8853    1.0672   -0.7147 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9745   -1.0089    0.2043 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
   -4.2415   -0.6597    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7448   -1.6488    0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9488    1.1262   -0.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8132    2.1183   -0.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6881    2.0333   -0.9811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6442   -1.8443    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -1.7379    0.8832 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 13  1  0
  1 14  1  0
  2 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
M  CHG  2  11  -1  12   1
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers