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
-3.3126 -0.1918 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2812 -0.0953 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 -0.0330 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.0704 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 -0.0092 1.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8243 0.0917 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4574 0.1285 -0.9607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1460 0.0692 -1.3741 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2061 0.1541 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1142 0.2453 -0.0449 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5431 0.1153 2.1416 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
-3.2181 -0.2339 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3044 -0.2307 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4448 -0.0571 -1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3124 -0.1492 1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0306 -0.0429 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2807 0.2088 -1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1075 0.1007 -2.4311 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