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+]
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
-3.1983 0.7689 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4267 -0.2233 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9802 -0.1525 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2496 -1.2741 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1227 -1.2567 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 -0.1189 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1475 0.9965 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2465 0.9810 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2871 -0.1131 0.3361 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9220 0.9280 0.0832 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9559 -1.2472 0.7366 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
-4.2709 0.6763 -0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7811 1.7307 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9119 -1.1694 0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8069 -2.1617 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6720 -2.1559 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6916 1.9165 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7743 1.8750 -0.6317 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