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
   -3.1691    0.2882   -0.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4282    0.3024    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9867    0.1292    0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759   -0.0604   -1.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990   -0.2187   -0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399   -0.1973    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1323   -0.0078    1.3451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2368    0.1502    1.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2894   -0.3661    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8842   -0.3338    1.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0321   -0.5574   -0.9732 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
   -2.7845    0.1519   -1.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2496    0.4181   -0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8966    0.4441    1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7946   -0.0872   -1.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6510   -0.3688   -1.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6856    0.0136    2.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916    0.2998    2.2626 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