Monomers
Vinyl benzoate
Identifiers
IUPAC name
ethenyl benzoate
InchI
InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
KOZCZZVUFDCZGG-UHFFFAOYSA-N
SMILES
C=COC(=O)c1ccccc1
Canonical SMILES
C=COC(=O)C1=CC=CC=C1
Isomeric SMILES
C=COC(=O)C1=CC=CC=C1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.9869
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 19 0 0 0 0 0 0 0 0999 V2000
3.7947 1.1474 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1386 0.0569 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7623 0.0584 -0.8548 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9776 -0.2297 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5551 -0.4946 1.3173 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4822 -0.2465 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1353 0.0387 -0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5186 0.0141 -1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2580 -0.2843 0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5980 -0.5676 1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2197 -0.5424 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2374 2.0470 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8684 1.1915 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6847 -0.8401 -0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5498 0.2747 -1.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0397 0.2326 -1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3201 -0.2882 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1918 -0.7994 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7054 -0.7682 2.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
7 15 1 0
8 16 1 0
9 17 1 0
10 18 1 0
11 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers