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
3.8558 0.2209 0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1622 -0.2478 -0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 0.1165 -0.3410 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8470 -0.6301 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1396 -1.6369 0.9061 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5284 -0.2530 0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5606 -0.9808 0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8688 -0.5922 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1868 0.5280 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1608 1.2598 -0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8501 0.8572 -0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8887 -0.0584 1.0359 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4280 0.8955 1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 -0.9222 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3802 -1.8737 1.1966 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6669 -1.1694 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1957 0.8493 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3595 2.1536 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0776 1.4837 -1.1878 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