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
3.2034 0.6988 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4039 -0.3302 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9500 -0.2325 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1473 -1.3514 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2146 -1.2446 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8354 -0.0622 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0668 1.0552 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3075 0.9348 0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2915 0.0297 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8198 1.1242 0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0346 -1.1126 0.0132 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
2.8796 1.6967 0.2751 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2842 0.5843 -0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 -1.2782 -0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6604 -2.2671 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8200 -2.1156 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5275 2.0179 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8934 1.8528 0.4363 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