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
-3.2696 -0.4105 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3879 0.5323 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9688 0.2835 -0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4105 -0.9417 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9715 -1.1160 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 -0.0721 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2873 1.1502 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0634 1.3371 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2955 -0.2534 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0466 0.7199 0.0627 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8291 -1.4918 0.5156 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
-4.3502 -0.2404 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9630 -1.4144 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7082 1.5336 -0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0631 -1.7968 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3576 -2.1149 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0082 1.9691 -0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4673 2.3263 -0.5129 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