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
-2.9586 -1.3778 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3785 -0.2567 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9720 -0.0207 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1562 -0.9953 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2121 -0.7272 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7363 0.5051 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9161 1.4875 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4266 1.2231 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1616 0.7638 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6371 1.8755 -0.0487 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.2136 0.7846 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
-2.4133 -2.2018 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0265 -1.5459 -0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0087 0.5435 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4870 -1.9763 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8542 -1.5014 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3704 2.4246 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 1.9936 -0.9741 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