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
    3.2820   -0.0331   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3283    0.4030    0.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9055    0.2232    0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0541    0.7007    1.2947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3974    0.5203    1.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8411   -0.1593   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744   -0.6314   -0.9388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4896   -0.4514   -0.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2611   -0.3511   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878   -0.9700   -1.3748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2586    0.1067    0.5006 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
    4.3287    0.1644    0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1508   -0.5709   -1.0458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6341    0.9452    1.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614    1.2250    2.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1648    0.8886    1.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1367   -1.1632   -1.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956   -0.8469   -1.4161 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