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
-3.2876 0.4223 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3625 -0.4624 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9434 -0.2464 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0421 -1.2737 0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3126 -1.0863 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8299 0.0794 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9443 1.0839 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 0.9189 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2617 0.2152 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7010 1.3164 -0.8665 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1617 -0.7708 -0.0838 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
-3.0224 1.3761 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3243 0.2042 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6499 -1.4391 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3952 -2.2090 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0294 -1.8741 0.5612 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2942 2.0255 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0750 1.7198 -0.5618 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