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
-3.8668 -0.6858 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1790 0.2406 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8576 0.0369 0.6507 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8905 0.4028 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2597 0.9146 -1.3660 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5241 0.2246 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4694 0.5938 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8370 0.4182 -0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1797 -0.1432 0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2702 -0.5297 1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9322 -0.3311 1.1633 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9050 -0.5633 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3897 -1.6162 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6449 1.1645 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1611 1.0370 -1.9035 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5783 0.7113 -1.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2523 -0.2822 0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5835 -0.9655 2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2054 -0.6275 1.9018 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