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
-3.1666 -0.7335 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4241 0.2268 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9809 0.1939 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2559 1.2615 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1189 1.2103 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8395 0.1196 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1440 -0.9399 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2414 -0.8760 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2799 0.0918 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8853 1.0672 -0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9745 -1.0089 0.2043 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
-4.2415 -0.6597 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7448 -1.6488 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9488 1.1262 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8132 2.1183 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6881 2.0333 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6442 -1.8443 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7571 -1.7379 0.8832 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